N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine

C19H38N2 — CID 65083055

IUPACN'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
SMILESCCC1CCCC(NCCCN(C)C2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-3-17-9-7-10-18(14-13-17)20-15-8-16-21(2)19-11-5-4-6-12-19/h17-20H,3-16H2,1-2H3
InChIKeyQQFVCBJKDURGBY-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds7

About N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine (PubChem CID 65083055) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
PubChem CID65083055
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
SMILESCCC1CCCC(NCCCN(C)C2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-3-17-9-7-10-18(14-13-17)20-15-8-16-21(2)19-11-5-4-6-12-19/h17-20H,3-16H2,1-2H3
InChIKeyQQFVCBJKDURGBY-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
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

N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
CID 54981732
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
4-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine (CID 65083055) is N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine is CCC1CCCC(NCCCN(C)C2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine?
The InChIKey is QQFVCBJKDURGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-3-17-9-7-10-18(14-13-17)20-15-8-16-21(2)19-11-5-4-6-12-19/h17-20H,3-16H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 65083055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).