1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol

C10H19NO — CID 107907097

IUPAC1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyTWYZGHNMAWJHFR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol

1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol (PubChem CID 107907097) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol
PubChem CID107907097
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C10H19NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyTWYZGHNMAWJHFR-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
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-[(Cyclohex-2-en-1-yl)amino]-3-fluoropropan-2-ol
CID 165600121
2-(Cyclohex-2-en-1-ylamino)ethanol
CID 18315970
3-[[(1R)-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-2-methylprop-2-enyl]amino]prop-1-en-2-ol
CID 126597441
(2Z,4Z,6E)-3-[(cyclohexylamino)methyl]undeca-2,4,6-trien-2-ol
CID 142528972
2-methyl-1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
CID 146623905
1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162712
1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162872
(Z)-5-(cyclohexylamino)-2,6-dimethylhept-3-en-3-ol
CID 170694966
Ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
CID 177317142
(1S,2R)-2-(butylamino)cyclohex-3-en-1-ol
CID 11263736
2-(Butylamino)cyclohex-3-en-1-ol
CID 12406993
1-[(Tert-butylamino)methyl]cyclohex-3-en-1-ol
CID 13610209

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol (CID 107907097) is 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol?
The InChIKey is TWYZGHNMAWJHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6,9,11-12H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol?
1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 107907097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).