3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol

C12H23NO — CID 115677296

IUPAC3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)C1CC1
InChIInChI=1S/C12H23NO/c1-9(11-5-6-11)13-8-10-3-2-4-12(14)7-10/h9-14H,2-8H2,1H3
InChIKeySZCAQFFCFSRKPH-UHFFFAOYSA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds4

About 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol

3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol (PubChem CID 115677296) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
PubChem CID115677296
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCC(O)C1)C1CC1
InChIInChI=1S/C12H23NO/c1-9(11-5-6-11)13-8-10-3-2-4-12(14)7-10/h9-14H,2-8H2,1H3
InChIKeySZCAQFFCFSRKPH-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(1-cyclopropylethylamino)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

(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
2-[(3-hydroxycyclohexyl)methylamino]-N-pentan-3-ylpropanamide
CID 106131934
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
cis-(1S,3R)-3-[[[(1S)-1-(5-bromothiophen-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 97322838
3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
CID 75428345
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol (CID 115677296) is 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol is CC(NCC1CCCC(O)C1)C1CC1.
What is the InChIKey of 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is SZCAQFFCFSRKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(11-5-6-11)13-8-10-3-2-4-12(14)7-10/h9-14H,2-8H2,1H3.
What are the key properties of 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol?
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115677296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).