4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine

C18H36N2 — CID 107449541

IUPAC4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C1CCCC(C(C)C)C1
InChIInChI=1S/C18H36N2/c1-4-12-20(17-10-8-16(19)9-11-17)18-7-5-6-15(13-18)14(2)3/h14-18H,4-13,19H2,1-3H3
InChIKeyVXJILOAPGLEXHN-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.18
Rot. Bonds5

About 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 107449541) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID107449541
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C1CCCC(C(C)C)C1
InChIInChI=1S/C18H36N2/c1-4-12-20(17-10-8-16(19)9-11-17)18-7-5-6-15(13-18)14(2)3/h14-18H,4-13,19H2,1-3H3
InChIKeyVXJILOAPGLEXHN-UHFFFAOYSA-N
XLogP4.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
1-N-cyclopropyl-1-N-propylcyclohexane-1,3-diamine
CID 79468427
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
4-N-(1-cyclohexylethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111630
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63465920
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
cis-(1R,3S)-1-methyl-3-propan-2-ylcyclohexane;cis-(1R,3S)-1-methyl-3-propan-2-ylcyclopentane;cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;methane;bis(1-methyl-4-propan-2-ylcyclohexane);1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclohexan-1-amine;4-propan-2-ylcyclohexan-1-amine;trans-(1S,3S)-1-methyl-3-propan-2-ylcyclohexane;bis(trans-(1R,3R)-1-methyl-3-propan-2-ylcyclohexane);trans-(1S,3S)-1-methyl-3-propan-2-ylcyclopentane;trans-(1R,3R)-1-methyl-3-propan-2-ylcyclopentane
CID 162144552
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine (CID 107449541) is 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C1CCCC(C(C)C)C1.
What is the InChIKey of 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is VXJILOAPGLEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-12-20(17-10-8-16(19)9-11-17)18-7-5-6-15(13-18)14(2)3/h14-18H,4-13,19H2,1-3H3.
What are the key properties of 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 107449541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).