cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol

C15H29NO — CID 124834672

IUPACcis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC[C@@H]1CCC[C@H](NC[C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C15H29NO/c1-2-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17/h12-17H,2-11H2,1H3/t12-,13+,14+,15-/m1/s1
InChIKeyILDKSLJNKXGJRY-CBBWQLFWSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol

cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 124834672) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID124834672
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Namecis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC[C@@H]1CCC[C@H](NC[C@@H]2CCCC[C@H]2O)C1
InChIInChI=1S/C15H29NO/c1-2-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17/h12-17H,2-11H2,1H3/t12-,13+,14+,15-/m1/s1
InChIKeyILDKSLJNKXGJRY-CBBWQLFWSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]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

2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentan-1-ol
CID 112553163
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
N-[(2,2-dimethylcyclopropyl)methyl]-3-ethylcyclohexan-1-amine
CID 103699452
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
CID 64741238
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
N-[[2-(3-ethylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81034069

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol (CID 124834672) is cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol is CC[C@@H]1CCC[C@H](NC[C@@H]2CCCC[C@H]2O)C1.
What is the InChIKey of cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ILDKSLJNKXGJRY-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-12-6-5-8-14(10-12)16-11-13-7-3-4-9-15(13)17/h12-17H,2-11H2,1H3/t12-,13+,14+,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 124834672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).