N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine

C18H38N2 — CID 79489086

IUPACN-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNC1CCC(C)CC1)CC(C)C
InChIInChI=1S/C18H38N2/c1-6-18(7-2)20(14-15(3)4)13-12-19-17-10-8-16(5)9-11-17/h15-19H,6-14H2,1-5H3
InChIKeyFUTXNPYCFNCIQR-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds9

About N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine

N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 79489086) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID79489086
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCNC1CCC(C)CC1)CC(C)C
InChIInChI=1S/C18H38N2/c1-6-18(7-2)20(14-15(3)4)13-12-19-17-10-8-16(5)9-11-17/h15-19H,6-14H2,1-5H3
InChIKeyFUTXNPYCFNCIQR-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778
N-cyclopentyl-N'-(2-methylpropyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 79490291
N'-methyl-N'-(3-methylbutyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 55089565
N-cyclopropyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378678
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
3-(cyclopropylamino)-N-(2-methylpropyl)-N-pentan-3-ylpropanamide
CID 79491004
N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490780
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
N-(2-methylpropyl)-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-3-amine
CID 79490040
N-cyclopropyl-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 60868035

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine (CID 79489086) is N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCNC1CCC(C)CC1)CC(C)C.
What is the InChIKey of N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is FUTXNPYCFNCIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-18(7-2)20(14-15(3)4)13-12-19-17-10-8-16(5)9-11-17/h15-19H,6-14H2,1-5H3.
What are the key properties of N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine?
N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 79489086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).