trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol

C12H23NO — CID 102731748

IUPACtrans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCCC1CC1
InChIInChI=1S/C12H23NO/c14-12-6-2-1-5-11(12)13-9-3-4-10-7-8-10/h10-14H,1-9H2/t11-,12-/m1/s1
InChIKeyQETJEDYICXIKRJ-VXGBXAGGSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds5

About trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol (PubChem CID 102731748) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
PubChem CID102731748
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NCCCC1CC1
InChIInChI=1S/C12H23NO/c14-12-6-2-1-5-11(12)13-9-3-4-10-7-8-10/h10-14H,1-9H2/t11-,12-/m1/s1
InChIKeyQETJEDYICXIKRJ-VXGBXAGGSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(3-cyclopropylpropylamino)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

Related Compounds

trans-(1R,2R)-2-(2-cyclopropylethylamino)cyclopentan-1-ol
CID 102733634
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
4-(3-cyclopentylpropylamino)oxolan-3-ol
CID 106010570
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
2-(nonylamino)cyclohexan-1-ol
CID 62360571
cis-(1R,2S)-2-(cyclopropylmethylamino)cyclohexan-1-ol
CID 58627713
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]butanamide
CID 102733144

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol (CID 102731748) is trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NCCCC1CC1.
What is the InChIKey of trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol?
The InChIKey is QETJEDYICXIKRJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H23NO/c14-12-6-2-1-5-11(12)13-9-3-4-10-7-8-10/h10-14H,1-9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).