2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine

C15H25N — CID 71235714

IUPAC2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine
SMILESCC1CC(C2=C(N)CCCC2C)=C[C@@H](C)C1
InChIInChI=1S/C15H25N/c1-10-7-11(2)9-13(8-10)15-12(3)5-4-6-14(15)16/h8,10-12H,4-7,9,16H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyJRLRCDBUJQYKOI-UNXYVOJBSA-N
MW219.37 g/mol
LogP4.01
Rot. Bonds1

About 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine

2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine (PubChem CID 71235714) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine.

Molecular Properties

Compound Name2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine
PubChem CID71235714
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine
SMILESCC1CC(C2=C(N)CCCC2C)=C[C@@H](C)C1
InChIInChI=1S/C15H25N/c1-10-7-11(2)9-13(8-10)15-12(3)5-4-6-14(15)16/h8,10-12H,4-7,9,16H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyJRLRCDBUJQYKOI-UNXYVOJBSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine?
The IUPAC name of 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine (CID 71235714) is 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine.
What is the SMILES notation for 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine?
The canonical SMILES for 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine is CC1CC(C2=C(N)CCCC2C)=C[C@@H](C)C1.
What is the InChIKey of 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine?
The InChIKey is JRLRCDBUJQYKOI-UNXYVOJBSA-N. The full InChI is InChI=1S/C15H25N/c1-10-7-11(2)9-13(8-10)15-12(3)5-4-6-14(15)16/h8,10-12H,4-7,9,16H2,1-3H3/t10-,11?,12?/m0/s1.
What are the key properties of 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine?
2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3,5-dimethylcyclohexen-1-yl]-3-methylcyclohexen-1-amine is sourced from PubChem (CID 71235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).