trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol

C9H19NO — CID 13447992

IUPACtrans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyNXBJSUOOKXVSFX-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds2

About trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol (PubChem CID 13447992) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
PubChem CID13447992
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
SMILESCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1
InChIKeyNXBJSUOOKXVSFX-RKDXNWHRSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol 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,2R)-2-(propan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol (CID 13447992) is trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol is CC(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol?
The InChIKey is NXBJSUOOKXVSFX-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-8-5-3-4-6-9(8)11/h7-11H,3-6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 13447992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).