(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol

C11H21NO — CID 104980641

IUPAC(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
SMILESCC[C@@H](CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3/t10?,11-/m0/s1
InChIKeyLIVXEFGHWNFGDQ-DTIOYNMSSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds5

About (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol

(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol (PubChem CID 104980641) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
PubChem CID104980641
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
SMILESCC[C@@H](CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3/t10?,11-/m0/s1
InChIKeyLIVXEFGHWNFGDQ-DTIOYNMSSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-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

(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
CID 106345090
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
The IUPAC name of (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol (CID 104980641) is (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol.
What is the SMILES notation for (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
The canonical SMILES for (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol is CC[C@@H](CO)NCC1CC=CCC1.
What is the InChIKey of (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
The InChIKey is LIVXEFGHWNFGDQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol is sourced from PubChem (CID 104980641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).