4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine

C18H38N2 — CID 79122187

IUPAC4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCCCCCCN(C)C1CCC(NCCC)CC1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-16-20(3)18-13-11-17(12-14-18)19-15-5-2/h17-19H,4-16H2,1-3H3
InChIKeyKEXTVAHRXREBPX-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds11

About 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 79122187) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID79122187
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCCCCCCN(C)C1CCC(NCCC)CC1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-16-20(3)18-13-11-17(12-14-18)19-15-5-2/h17-19H,4-16H2,1-3H3
InChIKeyKEXTVAHRXREBPX-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
N-methyl-N-pentylcyclobutanamine
CID 142562644
6-[[4-(ethylamino)cyclohexyl]-methylamino]hexan-1-ol
CID 107701944
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 112587794
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 79123103
N,N'-dicyclopropyl-N'-propylpentane-1,5-diamine
CID 62420672

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine (CID 79122187) is 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine is CCCCCCCCN(C)C1CCC(NCCC)CC1.
What is the InChIKey of 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is KEXTVAHRXREBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-6-7-8-9-10-16-20(3)18-13-11-17(12-14-18)19-15-5-2/h17-19H,4-16H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79122187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).