1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol

C11H21NO — CID 138502039

IUPAC1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol
SMILESCC1C=CCC(CN(C)C(C)O)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)8-12(3)10(2)13/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyMOTWXJFFELVHLK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.86
Rot. Bonds3

About 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol

1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol (PubChem CID 138502039) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol
PubChem CID138502039
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol
SMILESCC1C=CCC(CN(C)C(C)O)C1
InChIInChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)8-12(3)10(2)13/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyMOTWXJFFELVHLK-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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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol?
The IUPAC name of 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol (CID 138502039) is 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol?
The canonical SMILES for 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol is CC1C=CCC(CN(C)C(C)O)C1.
What is the InChIKey of 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol?
The InChIKey is MOTWXJFFELVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-4-6-11(7-9)8-12(3)10(2)13/h4-5,9-11,13H,6-8H2,1-3H3.
What are the key properties of 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol?
1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol 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 1-[methyl-[(5-methylcyclohex-3-en-1-yl)methyl]amino]ethanol is sourced from PubChem (CID 138502039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).