4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine

C16H32N2 — CID 13387432

IUPAC4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C16H32N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h9-16H,5-8,17-18H2,1-4H3
InChIKeyBICUTYWTZMMZLM-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.01
Rot. Bonds1

About 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine

4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine (PubChem CID 13387432) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine
PubChem CID13387432
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C16H32N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h9-16H,5-8,17-18H2,1-4H3
InChIKeyBICUTYWTZMMZLM-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine (CID 13387432) is 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine is CC1CC(C2CC(C)C(N)C(C)C2)CC(C)C1N.
What is the InChIKey of 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine?
The InChIKey is BICUTYWTZMMZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14/h9-16H,5-8,17-18H2,1-4H3.
What are the key properties of 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine?
4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dimethylcyclohexyl)-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 13387432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).