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

C11H21NO — CID 107907099

IUPAC1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-3-11(2,13)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyKGUOUKMZALJHKS-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.85
Rot. Bonds4

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

1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol (PubChem CID 107907099) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol
PubChem CID107907099
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-3-11(2,13)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3
InChIKeyKGUOUKMZALJHKS-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 ≤ 500183.30
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

(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
CID 167082463
Hepta-1,6-dien-4-ol, 4-(1,2,5,6-tetrahydro-2,6-diallyl-2-pyridyl)-
CID 595787
2-(Cyclohex-3-en-1-ylamino)propan-1-ol
CID 91357368
1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol
CID 146773660
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
4-[(2R,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-1-ium-6-yl]hepta-1,6-dien-4-ol
CID 7567324
4-[(2R,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-6-yl]hepta-1,6-dien-4-ol
CID 7567325
4-[(2R,6R)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-1-ium-6-yl]hepta-1,6-dien-4-ol
CID 7567329
4-[(2R,6R)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-6-yl]hepta-1,6-dien-4-ol
CID 7567330
4-[(2S,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-1-ium-6-yl]hepta-1,6-dien-4-ol
CID 7567332
4-[(2S,6S)-2,6-bis(prop-2-enyl)-2,3-dihydro-1H-pyridin-6-yl]hepta-1,6-dien-4-ol
CID 7567333

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol (CID 107907099) is 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol is CCC(C)(O)CNC1C=CCCC1.
What is the InChIKey of 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol?
The InChIKey is KGUOUKMZALJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-11(2,13)9-12-10-7-5-4-6-8-10/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol?
1-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol has a molecular weight of 183.30 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-(cyclohex-2-en-1-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 107907099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).