N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

C18H37N3 — CID 60981234

IUPACN'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN(C)C1CCCCC1
InChIInChI=1S/C18H37N3/c1-15-14-21(4)16(2)13-18(15)19-11-8-12-20(3)17-9-6-5-7-10-17/h15-19H,5-14H2,1-4H3
InChIKeyNHDULCKDIDBMOI-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds6

About N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 60981234) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID60981234
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1CN(C)C(C)CC1NCCCN(C)C1CCCCC1
InChIInChI=1S/C18H37N3/c1-15-14-21(4)16(2)13-18(15)19-11-8-12-20(3)17-9-6-5-7-10-17/h15-19H,5-14H2,1-4H3
InChIKeyNHDULCKDIDBMOI-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 5149120
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
N'-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine
CID 60890113
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
N-(2-bicyclo[3.1.0]hexanyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 112740099
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 43665481
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-(2,6-dimethylpiperidin-1-yl)-1,2,5-trimethylpiperidin-4-amine
CID 83007709
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
CID 103780871
1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine (CID 60981234) is N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is CC1CN(C)C(C)CC1NCCCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is NHDULCKDIDBMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15-14-21(4)16(2)13-18(15)19-11-8-12-20(3)17-9-6-5-7-10-17/h15-19H,5-14H2,1-4H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(1,2,5-trimethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 60981234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).