5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol

C12H23NO — CID 107267824

IUPAC5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
SMILESCC(O)CCCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-11(14)6-5-9-13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3
InChIKeyBSPOQKGWLCCACT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol

5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol (PubChem CID 107267824) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
PubChem CID107267824
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
SMILESCC(O)CCCNCC1CC=CCC1
InChIInChI=1S/C12H23NO/c1-11(14)6-5-9-13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3
InChIKeyBSPOQKGWLCCACT-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
4-(cyclohex-3-en-1-ylmethylamino)-N-cyclopropylbutanamide
CID 79394924
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol?
The IUPAC name of 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol (CID 107267824) is 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol?
The canonical SMILES for 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol is CC(O)CCCNCC1CC=CCC1.
What is the InChIKey of 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol?
The InChIKey is BSPOQKGWLCCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(14)6-5-9-13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3.
What are the key properties of 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol?
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 107267824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).