[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine

C17H33N — CID 81012713

IUPAC[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1CCC(C2CC(C)(C)CCC2CN)CC1C
InChIInChI=1S/C17H33N/c1-12-5-6-14(9-13(12)2)16-10-17(3,4)8-7-15(16)11-18/h12-16H,5-11,18H2,1-4H3
InChIKeyDNPJJGUARLMNHF-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.46
Rot. Bonds2

About [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine

[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 81012713) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID81012713
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1CCC(C2CC(C)(C)CCC2CN)CC1C
InChIInChI=1S/C17H33N/c1-12-5-6-14(9-13(12)2)16-10-17(3,4)8-7-15(16)11-18/h12-16H,5-11,18H2,1-4H3
InChIKeyDNPJJGUARLMNHF-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine (CID 81012713) is [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine is CC1CCC(C2CC(C)(C)CCC2CN)CC1C.
What is the InChIKey of [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is DNPJJGUARLMNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12-5-6-14(9-13(12)2)16-10-17(3,4)8-7-15(16)11-18/h12-16H,5-11,18H2,1-4H3.
What are the key properties of [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine?
[2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 251.46 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylcyclohexyl)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 81012713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).