1-(3,5-dimethylcyclohexyl)propan-2-amine

C11H23N — CID 70312991

IUPAC1-(3,5-dimethylcyclohexyl)propan-2-amine
SMILESCC(N)CC1CC(C)CC(C)C1
InChIInChI=1S/C11H23N/c1-8-4-9(2)6-11(5-8)7-10(3)12/h8-11H,4-7,12H2,1-3H3
InChIKeyBTLQMNGBQCXYRA-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.80
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)propan-2-amine

1-(3,5-dimethylcyclohexyl)propan-2-amine (PubChem CID 70312991) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)propan-2-amine
PubChem CID70312991
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-(3,5-dimethylcyclohexyl)propan-2-amine
SMILESCC(N)CC1CC(C)CC(C)C1
InChIInChI=1S/C11H23N/c1-8-4-9(2)6-11(5-8)7-10(3)12/h8-11H,4-7,12H2,1-3H3
InChIKeyBTLQMNGBQCXYRA-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)propan-2-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)propan-2-amine (CID 70312991) is 1-(3,5-dimethylcyclohexyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)propan-2-amine is CC(N)CC1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)propan-2-amine?
The InChIKey is BTLQMNGBQCXYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8-4-9(2)6-11(5-8)7-10(3)12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)propan-2-amine?
1-(3,5-dimethylcyclohexyl)propan-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)propan-2-amine is sourced from PubChem (CID 70312991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).