2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol

C11H21NO — CID 106654906

IUPAC2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-11(13,8-9-12-2)10-6-4-3-5-7-10/h6,12-13H,3-5,7-9H2,1-2H3
InChIKeyUVTYSIVODSTKNY-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds4

About 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol

2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol (PubChem CID 106654906) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol
PubChem CID106654906
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol
SMILESCNCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-11(13,8-9-12-2)10-6-4-3-5-7-10/h6,12-13H,3-5,7-9H2,1-2H3
InChIKeyUVTYSIVODSTKNY-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Butylamino)prop-1-en-2-yl]cyclohexan-1-ol
CID 10420692
(Dimethylaminoethyl)bis(1-cyclohexenyl)-methanol
CID 54563448
2-Ethyl-1-methyl-3-[3-methyl-1-(methylamino)but-2-enyl]cyclopent-2-en-1-ol
CID 71052564
1-Amino-3-methyl-2-(4-methylcyclohex-3-en-1-yl)octan-3-ol
CID 71188640
1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
1-(3,4-Dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
CID 123955518
(1S)-2-(aminomethyl)-1-heptylcycloprop-2-en-1-ol
CID 139365753
5-[4-(Aminomethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 142066699
(6S)-2-methyl-4-(methylaminomethyl)-6-(4-methylcyclohexa-1,3-dien-1-yl)heptan-2-ol
CID 144424901
1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14964967
4-(Methylamino)-1-(2-methylprop-1-enyl)cyclohexan-1-ol
CID 79177543

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol (CID 106654906) is 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol is CNCCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol?
The InChIKey is UVTYSIVODSTKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(13,8-9-12-2)10-6-4-3-5-7-10/h6,12-13H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol?
2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(methylamino)butan-2-ol is sourced from PubChem (CID 106654906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).