4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine

C18H38N2 — CID 114868433

IUPAC4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(CC(C)C)CC(C)C
InChIInChI=1S/C18H38N2/c1-6-11-20(17-9-7-16(19)8-10-17)18(12-14(2)3)13-15(4)5/h14-18H,6-13,19H2,1-5H3
InChIKeyMCFNYUHIODZQFZ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds8

About 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 114868433) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID114868433
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(CC(C)C)CC(C)C
InChIInChI=1S/C18H38N2/c1-6-11-20(17-9-7-16(19)8-10-17)18(12-14(2)3)13-15(4)5/h14-18H,6-13,19H2,1-5H3
InChIKeyMCFNYUHIODZQFZ-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine with MolForge

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Related Compounds

N-[(2S)-6-methylheptan-2-yl]-1-propylpiperidin-4-amine
CID 28668137
6-N,6-N-dibutyl-2-N-fluoro-3-methyloctane-2,6-diamine
CID 57257649
6-methyl-N-(6-methylheptan-2-yl)heptan-2-amine
CID 87087004
N,N'-Bis(1-isobutylbutyl)-1,4-butanediamine
CID 3027715
N'-[3-[1,5-dicyclohexylpentan-3-yl(methyl)amino]propyl]propane-1,3-diamine
CID 90674840
N-(6-methylheptan-2-yl)-1-propylpiperidin-4-amine
CID 43182153
1-N,4-N-bis(2-ethylhexyl)cyclohexane-1,4-diamine
CID 11099841
2-methyl-N-(2-methylheptan-3-yl)heptan-3-amine
CID 12347266
2,8-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]nonan-5-amine
CID 14457394
2,8-dimethyl-N-(3-piperidin-1-ylpropyl)nonan-5-amine
CID 15030001
2-methyl-N-(3-piperidin-1-ylpropyl)decan-5-amine
CID 15030016
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine (CID 114868433) is 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(CC(C)C)CC(C)C.
What is the InChIKey of 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is MCFNYUHIODZQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-11-20(17-9-7-16(19)8-10-17)18(12-14(2)3)13-15(4)5/h14-18H,6-13,19H2,1-5H3.
What are the key properties of 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 114868433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).