1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine

C11H21NO — CID 45091339

IUPAC1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCOC1CC(CN(C)C)CC=C1C
InChIInChI=1S/C11H21NO/c1-9-5-6-10(8-12(2)3)7-11(9)13-4/h5,10-11H,6-8H2,1-4H3
InChIKeyKYEKHZHGCSAFCI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.92
Rot. Bonds3

About 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine

1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine (PubChem CID 45091339) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
PubChem CID45091339
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCOC1CC(CN(C)C)CC=C1C
InChIInChI=1S/C11H21NO/c1-9-5-6-10(8-12(2)3)7-11(9)13-4/h5,10-11H,6-8H2,1-4H3
InChIKeyKYEKHZHGCSAFCI-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Cyclohex-2-en-1-yloxymethyl)-1-methylpiperidine
CID 68393346
2-(6-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylethanamine
CID 91524542
N-[2-(4-methoxycyclohex-2-en-1-yl)ethyl]-N-methylpropan-1-amine
CID 141784759
(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine
CID 155402658
(Z)-9-methoxy-N,N,3-trimethyl-4-propyldec-7-en-1-amine
CID 167309488
N-ethyl-N-[(2-propan-2-yl-3,6-dihydro-2H-pyran-4-yl)methyl]ethanamine
CID 23261876
[(1R,6S)-6-[(dimethylamino)methyl]-3-methylcyclohex-2-en-1-yl] acetate
CID 101941787
1-[2-(2-Methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)oxyethyl]piperidine
CID 117060396
1-Methyl-4-[3-(4-methylpent-3-en-2-yloxy)propyl]piperidine
CID 142163968

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine (CID 45091339) is 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine is COC1CC(CN(C)C)CC=C1C.
What is the InChIKey of 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
The InChIKey is KYEKHZHGCSAFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-5-6-10(8-12(2)3)7-11(9)13-4/h5,10-11H,6-8H2,1-4H3.
What are the key properties of 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine?
1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-methylcyclohex-3-en-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 45091339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).