1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol

C11H21NO — CID 106654888

IUPAC1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h6,9,11-13H,3-5,7-8H2,1-2H3
InChIKeyFWQCWUNKXPVXEN-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol

1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 106654888) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol
PubChem CID106654888
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)C1=CCCCC1
InChIInChI=1S/C11H21NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h6,9,11-13H,3-5,7-8H2,1-2H3
InChIKeyFWQCWUNKXPVXEN-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

cis-(1S,2S,3Z)-2-(hexylamino)-3-tetradecylidenecyclohexan-1-ol
CID 24798788
cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
cis-(1S,2S,3Z)-3-decylidene-2-(hexylamino)cyclohexan-1-ol
CID 24936307
(1S,2S,3S,6R)-4-methyl-6-(octylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
CID 71573724
(1S,2S,3S,6R)-4-methyl-6-(octylamino)cyclohex-4-ene-1,2,3-triol
CID 71573725
(E)-1-piperidin-2-ylpent-3-en-2-ol
CID 6377936
2-(Tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
CID 24870737
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
1-(Cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 57116955
(1R,3S)-4-ethyl-6-(methylamino)cyclohex-4-ene-1,2,3-triol
CID 60041033
(2S,6R)-4-ethyl-6-(tetradecylamino)cyclohex-4-ene-1,2,3-triol
CID 60041131
(1S,3R,6S)-6-(1,3-dihydroxypropan-2-ylamino)-4-ethylcyclohex-4-ene-1,2,3-triol
CID 60041148

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol (CID 106654888) is 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is FWQCWUNKXPVXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h6,9,11-13H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol?
1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol 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 1-(cyclohexen-1-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 106654888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).