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

C16H32N2 — CID 79121688

IUPAC4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC(C)C1CCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H32N2/c1-12(2)13-4-8-15(9-5-13)18(3)16-10-6-14(17)7-11-16/h12-16H,4-11,17H2,1-3H3
InChIKeyGXFHEQKSNXCXIE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

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

4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 79121688) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID79121688
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC(C)C1CCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C16H32N2/c1-12(2)13-4-8-15(9-5-13)18(3)16-10-6-14(17)7-11-16/h12-16H,4-11,17H2,1-3H3
InChIKeyGXFHEQKSNXCXIE-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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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (CID 79121688) is 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is CC(C)C1CCC(N(C)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is GXFHEQKSNXCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)13-4-8-15(9-5-13)18(3)16-10-6-14(17)7-11-16/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(4-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-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).