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

C16H32N2 — CID 107449539

IUPAC4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC(C)C1CCCC(N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C16H32N2/c1-12(2)13-5-4-6-16(11-13)18(3)15-9-7-14(17)8-10-15/h12-16H,4-11,17H2,1-3H3
InChIKeyAZONIFUDRVNQMH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

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

4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 107449539) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID107449539
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC(C)C1CCCC(N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C16H32N2/c1-12(2)13-5-4-6-16(11-13)18(3)15-9-7-14(17)8-10-15/h12-16H,4-11,17H2,1-3H3
InChIKeyAZONIFUDRVNQMH-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 107449565
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469238
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

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (CID 107449539) is 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is CC(C)C1CCCC(N(C)C2CCC(N)CC2)C1.
What is the InChIKey of 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is AZONIFUDRVNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)13-5-4-6-16(11-13)18(3)15-9-7-14(17)8-10-15/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 3 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-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 107449539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).