trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine

C10H21N — CID 22853538

IUPACtrans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
SMILESCCC(C)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H21N/c1-3-8(2)9-6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyAVLFPOZNTGDEJU-CBMCFHRWSA-N
MW155.29 g/mol
LogP2.55
Rot. Bonds2

About trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine

trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine (PubChem CID 22853538) has the molecular formula C10H21N and a molecular weight of 155.29 g/mol. Its IUPAC name is trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
PubChem CID22853538
Molecular FormulaC10H21N
Molecular Weight155.29 g/mol
Exact Mass155.17
IUPAC Nametrans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
SMILESCCC(C)[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C10H21N/c1-3-8(2)9-6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10+/m0/s1
InChIKeyAVLFPOZNTGDEJU-CBMCFHRWSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,2S)-2-butan-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-(1R,2S)-2-butan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine (CID 22853538) is trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine is CCC(C)[C@@H]1CCCC[C@H]1N.
What is the InChIKey of trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine?
The InChIKey is AVLFPOZNTGDEJU-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H21N/c1-3-8(2)9-6-4-5-7-10(9)11/h8-10H,3-7,11H2,1-2H3/t8?,9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine?
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine has a molecular weight of 155.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 22853538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).