1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine

C66H158N16O3 — CID 160691592

IUPAC1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine
SMILESC.C1CCNCC1.CCC(N)CN.CCC(O)CN.CCCCCCCN.CCCCCCN.CCCCCN.CCCCN.CCCN(CCN)CCO.CN1CCN(CCCN)CC1.NCCN1CCCCC1.NCCOc1ccccc1
InChIInChI=1S/C8H19N3.C8H11NO.C7H18N2O.C7H16N2.C7H17N.C6H15N.C5H11N.C5H13N.C4H12N2.C4H11NO.C4H11N.CH4/c1-10-5-7-11(8-6-10)4-2-3-9;9-6-7-10-8-4-2-1-3-5-8;1-2-4-9(5-3-8)6-7-10;8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8;1-2-3-4-5-6-7;1-2-4-6-5-3-1;1-2-3-4-5-6;2*1-2-4(6)3-5;1-2-3-4-5;/h2-9H2,1H3;1-5H,6-7,9H2;10H,2-8H2,1H3;1-8H2;2-8H2,1H3;2-7H2,1H3;6H,1-5H2;2-6H2,1H3;4H,2-3,5-6H2,1H3;4,6H,2-3,5H2,1H3;2-5H2,1H3;1H4
InChIKeyRPLYRXLCVSGCOG-UHFFFAOYSA-N
MW1224.10 g/mol
LogP6.80
Rot. Bonds32

About 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine

1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine (PubChem CID 160691592) has the molecular formula C66H158N16O3 and a molecular weight of 1224.10 g/mol. Its IUPAC name is 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine
PubChem CID160691592
Molecular FormulaC66H158N16O3
Molecular Weight1224.10 g/mol
Exact Mass1223.27
IUPAC Name1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine
SMILESC.C1CCNCC1.CCC(N)CN.CCC(O)CN.CCCCCCCN.CCCCCCN.CCCCCN.CCCCN.CCCN(CCN)CCO.CN1CCN(CCCN)CC1.NCCN1CCCCC1.NCCOc1ccccc1
InChIInChI=1S/C8H19N3.C8H11NO.C7H18N2O.C7H16N2.C7H17N.C6H15N.C5H11N.C5H13N.C4H12N2.C4H11NO.C4H11N.CH4/c1-10-5-7-11(8-6-10)4-2-3-9;9-6-7-10-8-4-2-1-3-5-8;1-2-4-9(5-3-8)6-7-10;8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8;1-2-3-4-5-6-7;1-2-4-6-5-3-1;1-2-3-4-5-6;2*1-2-4(6)3-5;1-2-3-4-5;/h2-9H2,1H3;1-5H,6-7,9H2;10H,2-8H2,1H3;1-8H2;2-8H2,1H3;2-7H2,1H3;6H,1-5H2;2-6H2,1H3;4H,2-3,5-6H2,1H3;4,6H,2-3,5H2,1H3;2-5H2,1H3;1H4
InChIKeyRPLYRXLCVSGCOG-UHFFFAOYSA-N
XLogP6.80
TPSA360.90 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.10
LogP ≤ 56.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine 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-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407
1-(3-phenoxypropyl)piperazine
CID 2760351
benzene;ethane;heptane;methane;2-phenoxyethanol;propane
CID 158024882
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
1-hexylpyrrolidine;2-methylbenzene-1,3-dicarboxylic acid;pyrrolidine
CID 174695142
1-pentylpiperidine;pyrrolidine
CID 69027489
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
1-ethyl-4-hexoxybenzene;2-[2-hydroxyethyl(propyl)amino]ethanol
CID 143268101
1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl-propylamino]dodecan-2-ol
CID 118243054
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate;hydrochloride
CID 3042453
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537

Frequently Asked Questions

What is the IUPAC name of 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine?
The IUPAC name of 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine (CID 160691592) is 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine.
What is the SMILES notation for 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine?
The canonical SMILES for 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine is C.C1CCNCC1.CCC(N)CN.CCC(O)CN.CCCCCCCN.CCCCCCN.CCCCCN.CCCCN.CCCN(CCN)CCO.CN1CCN(CCCN)CC1.NCCN1CCCCC1.NCCOc1ccccc1.
What is the InChIKey of 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine?
The InChIKey is RPLYRXLCVSGCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.C8H11NO.C7H18N2O.C7H16N2.C7H17N.C6H15N.C5H11N.C5H13N.C4H12N2.C4H11NO.C4H11N.CH4/c1-10-5-7-11(8-6-10)4-2-3-9;9-6-7-10-8-4-2-1-3-5-8;1-2-4-9(5-3-8)6-7-10;8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6-7-8;1-2-3-4-5-6-7;1-2-4-6-5-3-1;1-2-3-4-5-6;2*1-2-4(6)3-5;1-2-3-4-5;/h2-9H2,1H3;1-5H,6-7,9H2;10H,2-8H2,1H3;1-8H2;2-8H2,1H3;2-7H2,1H3;6H,1-5H2;2-6H2,1H3;4H,2-3,5-6H2,1H3;4,6H,2-3,5H2,1H3;2-5H2,1H3;1H4.
What are the key properties of 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine?
1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine has a molecular weight of 1224.10 g/mol, XLogP of 6.80, 32 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobutan-2-ol;2-[2-aminoethyl(propyl)amino]ethanol;butan-1-amine;butane-1,2-diamine;heptan-1-amine;hexan-1-amine;methane;3-(4-methylpiperazin-1-yl)propan-1-amine;pentan-1-amine;2-phenoxyethanamine;piperidine;2-piperidin-1-ylethanamine is sourced from PubChem (CID 160691592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).