[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol

C11H21NO — CID 89017595

IUPAC[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol
SMILESCCN(C)C(O)C1C=CCCC1C
InChIInChI=1S/C11H21NO/c1-4-12(3)11(13)10-8-6-5-7-9(10)2/h6,8-11,13H,4-5,7H2,1-3H3
InChIKeyYSGFBHPWODEWFB-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.86
Rot. Bonds3

About [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol

[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol (PubChem CID 89017595) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol.

Molecular Properties

Compound Name[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol
PubChem CID89017595
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol
SMILESCCN(C)C(O)C1C=CCCC1C
InChIInChI=1S/C11H21NO/c1-4-12(3)11(13)10-8-6-5-7-9(10)2/h6,8-11,13H,4-5,7H2,1-3H3
InChIKeyYSGFBHPWODEWFB-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cambridge id 5428864
CID 2846038
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanol
CID 68199887
[4-(Diethylamino)cyclohex-2-en-1-yl]methanol
CID 68199978
(4-pentyl-1-prop-2-enyl-3,6-dihydro-2H-pyridin-3-yl)methanol
CID 70186852
1-Cyclohexa-2,4-dien-1-yl-3-(dimethylamino)propan-1-ol
CID 70253865
4-[2-[Ethyl(methyl)amino]ethyl]cyclohex-2-en-1-ol
CID 90916937
Aziridin-1-yl-(2,6-dimethylcyclohex-2-en-1-yl)methanol
CID 123232130
(E)-5-(aziridin-1-ylmethyl)-3-methylidenenon-7-en-1-ol
CID 130373399
1-[Methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol
CID 138502039
(2-Methyl-1,3,3a,4,7,7a-hexahydroisoindol-4-yl)methanol
CID 141828051
(2-Methyl-1,3,3a,4,5,7a-hexahydroisoindol-4-yl)methanol
CID 141838304
Piperidin-1-yl-(1,4,6-trimethylcyclohex-3-en-1-yl)methanol
CID 143005349

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol?
The IUPAC name of [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol (CID 89017595) is [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol.
What is the SMILES notation for [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol?
The canonical SMILES for [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol is CCN(C)C(O)C1C=CCCC1C.
What is the InChIKey of [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol?
The InChIKey is YSGFBHPWODEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-12(3)11(13)10-8-6-5-7-9(10)2/h6,8-11,13H,4-5,7H2,1-3H3.
What are the key properties of [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol?
[ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol has a molecular weight of 183.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino]-(6-methylcyclohex-2-en-1-yl)methanol is sourced from PubChem (CID 89017595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).