trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine

C8H15N — CID 89221861

IUPACtrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
SMILESC=C1CC[C@H](C)C[C@@H]1N
InChIInChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1
InChIKeyXVNLBPGYXNLDRK-XPUUQOCRSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds

About trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine

trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine (PubChem CID 89221861) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
PubChem CID89221861
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nametrans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
SMILESC=C1CC[C@H](C)C[C@@H]1N
InChIInChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1
InChIKeyXVNLBPGYXNLDRK-XPUUQOCRSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The IUPAC name of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine (CID 89221861) is trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine.
What is the SMILES notation for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The canonical SMILES for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine is C=C1CC[C@H](C)C[C@@H]1N.
What is the InChIKey of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
The InChIKey is XVNLBPGYXNLDRK-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H15N/c1-6-3-4-7(2)8(9)5-6/h6,8H,2-5,9H2,1H3/t6-,8-/m0/s1.
What are the key properties of trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine?
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine is sourced from PubChem (CID 89221861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).