1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine

C154H325N15O — CID 167660939

IUPAC1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine
SMILESCC(C)(C)N1CCCCC1.CCCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCN(C(C)(C)C)CC1.CCCCOCCCN1CCN(C(C)(C)C)CC1.CCCN(C)CCCCCCC(C)(C)C.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(CCCCCCC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H37N.2C17H35N.C16H33N.C15H32N2O.C15H31N.C14H31N.C12H26N2.C11H24N2.C10H22N2.C9H19N/c1-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2,3)4;1-17(2,3)14-10-5-6-11-15-18(4)16-12-8-7-9-13-16;1-5-6-7-8-9-10-13-18-14-11-16(12-15-18)17(2,3)4;1-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2,3)4;1-5-6-13-18-14-7-8-16-9-11-17(12-10-16)15(2,3)4;1-5-6-7-8-11-16-12-9-14(10-13-16)15(2,3)4;1-6-12-15(5)13-10-8-7-9-11-14(2,3)4;1-5-6-7-13-8-10-14(11-9-13)12(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h17H,5-16H2,1-4H3;2*16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;5-14H2,1-4H3;14H,5-13H2,1-4H3;6-13H2,1-5H3;5-11H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;4-8H2,1-3H3
InChIKeyRYJILJAPRJWZHX-UHFFFAOYSA-N
MW2403.40 g/mol
LogP39.53
Rot. Bonds54

About 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine

1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine (PubChem CID 167660939) has the molecular formula C154H325N15O and a molecular weight of 2403.40 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine
PubChem CID167660939
Molecular FormulaC154H325N15O
Molecular Weight2403.40 g/mol
Exact Mass2401.58
IUPAC Name1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine
SMILESCC(C)(C)N1CCCCC1.CCCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCN(C(C)(C)C)CC1.CCCCOCCCN1CCN(C(C)(C)C)CC1.CCCN(C)CCCCCCC(C)(C)C.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(CCCCCCC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H37N.2C17H35N.C16H33N.C15H32N2O.C15H31N.C14H31N.C12H26N2.C11H24N2.C10H22N2.C9H19N/c1-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2,3)4;1-17(2,3)14-10-5-6-11-15-18(4)16-12-8-7-9-13-16;1-5-6-7-8-9-10-13-18-14-11-16(12-15-18)17(2,3)4;1-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2,3)4;1-5-6-13-18-14-7-8-16-9-11-17(12-10-16)15(2,3)4;1-5-6-7-8-11-16-12-9-14(10-13-16)15(2,3)4;1-6-12-15(5)13-10-8-7-9-11-14(2,3)4;1-5-6-7-13-8-10-14(11-9-13)12(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h17H,5-16H2,1-4H3;2*16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;5-14H2,1-4H3;14H,5-13H2,1-4H3;6-13H2,1-5H3;5-11H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;4-8H2,1-3H3
InChIKeyRYJILJAPRJWZHX-UHFFFAOYSA-N
XLogP39.53
TPSA57.83 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds54
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002403.40
LogP ≤ 539.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;1-tert-butyl-4-[2-(5,5-dimethylhexoxy)ethyl]piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-tert-butyl-N-(7,7-dimethyloctyl)-N-methylpiperidin-4-amine;1-tert-butyl-4-[3-(4,4-dimethylpentoxy)propyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine
CID 159108032
1-butyl-4-tert-butylpiperidine;tert-butylcyclohexane;4-tert-butyl-1-ethylpiperidine;1-tert-butyl-N-heptylpiperidin-4-amine;1-tert-butyl-N-hexylpiperidin-4-amine;1-tert-butyl-N-octylpiperidin-4-amine;4-tert-butyl-1-pentylpiperidine;4-tert-butyl-1-propylpiperidine
CID 167649939
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 167593600
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
1-(11,11-dimethyldodecyl)piperidine
CID 118887407
N-methyl-N-pentylcyclobutanamine
CID 142562644
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine?
The IUPAC name of 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine (CID 167660939) is 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine.
What is the SMILES notation for 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine?
The canonical SMILES for 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine is CC(C)(C)N1CCCCC1.CCCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCCN1CCC(C(C)(C)C)CC1.CCCCCCN1CCC(C(C)(C)C)CC1.CCCCN1CCN(C(C)(C)C)CC1.CCCCOCCCN1CCN(C(C)(C)C)CC1.CCCN(C)CCCCCCC(C)(C)C.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(CCCCCCC(C)(C)C)C1CCCCC1.
What is the InChIKey of 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine?
The InChIKey is RYJILJAPRJWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N.2C17H35N.C16H33N.C15H32N2O.C15H31N.C14H31N.C12H26N2.C11H24N2.C10H22N2.C9H19N/c1-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(2,3)4;1-17(2,3)14-10-5-6-11-15-18(4)16-12-8-7-9-13-16;1-5-6-7-8-9-10-13-18-14-11-16(12-15-18)17(2,3)4;1-5-6-7-8-9-12-17-13-10-15(11-14-17)16(2,3)4;1-5-6-13-18-14-7-8-16-9-11-17(12-10-16)15(2,3)4;1-5-6-7-8-11-16-12-9-14(10-13-16)15(2,3)4;1-6-12-15(5)13-10-8-7-9-11-14(2,3)4;1-5-6-7-13-8-10-14(11-9-13)12(2,3)4;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-5-11-6-8-12(9-7-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10/h17H,5-16H2,1-4H3;2*16H,5-15H2,1-4H3;15H,5-14H2,1-4H3;5-14H2,1-4H3;14H,5-13H2,1-4H3;6-13H2,1-5H3;5-11H2,1-4H3;5-10H2,1-4H3;5-9H2,1-4H3;4-8H2,1-3H3.
What are the key properties of 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine?
1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine has a molecular weight of 2403.40 g/mol, XLogP of 39.53, 54 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-4-tert-butylpiperazine;1-butyl-4-tert-butylpiperazine;1-tert-butyl-4-ethylpiperazine;4-tert-butyl-1-heptylpiperidine;4-tert-butyl-1-hexylpiperidine;4-tert-butyl-1-nonylpiperidine;4-tert-butyl-1-octylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperazine;N-(7,7-dimethyloctyl)-N-methylcyclohexanamine;N,7,7-trimethyl-N-propyloctan-1-amine is sourced from PubChem (CID 167660939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).