trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C15H27N — CID 89058305

IUPACtrans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESC=C(NC1C[C@@H](C)CC[C@@H]1C(C)C)C1CC1
InChIInChI=1S/C15H27N/c1-10(2)14-8-5-11(3)9-15(14)16-12(4)13-6-7-13/h10-11,13-16H,4-9H2,1-3H3/t11-,14+,15?/m0/s1
InChIKeyPNCGLFQCTRZSJK-NFCBODTESA-N
MW221.39 g/mol
LogP3.96
Rot. Bonds4

About trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 89058305) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID89058305
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nametrans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESC=C(NC1C[C@@H](C)CC[C@@H]1C(C)C)C1CC1
InChIInChI=1S/C15H27N/c1-10(2)14-8-5-11(3)9-15(14)16-12(4)13-6-7-13/h10-11,13-16H,4-9H2,1-3H3/t11-,14+,15?/m0/s1
InChIKeyPNCGLFQCTRZSJK-NFCBODTESA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-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-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 89058305) is trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is C=C(NC1C[C@@H](C)CC[C@@H]1C(C)C)C1CC1.
What is the InChIKey of trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is PNCGLFQCTRZSJK-NFCBODTESA-N. The full InChI is InChI=1S/C15H27N/c1-10(2)14-8-5-11(3)9-15(14)16-12(4)13-6-7-13/h10-11,13-16H,4-9H2,1-3H3/t11-,14+,15?/m0/s1.
What are the key properties of trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 89058305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).