1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine

C12H23NO — CID 106654431

IUPAC1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-4-11(14-3)12(13-2)10-8-6-5-7-9-10/h8,11-13H,4-7,9H2,1-3H3
InChIKeyGWHIGUKWJJVXAC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine

1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine (PubChem CID 106654431) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
PubChem CID106654431
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-4-11(14-3)12(13-2)10-8-6-5-7-9-10/h8,11-13H,4-7,9H2,1-3H3
InChIKeyGWHIGUKWJJVXAC-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexen-1-yl)-2-ethoxy-N-methylpentan-1-amine
CID 106654451
1-(cyclohepten-1-yl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 106654510
[1-(cycloocten-1-yl)-2-ethoxybutyl]hydrazine
CID 106649558
1-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
[1-(cyclohexen-1-yl)-2-methylbutyl]hydrazine
CID 106648898
N-[1-(cyclohexen-1-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 106653818
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclohexen-1-yl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 106654512
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cycloocten-1-yl)-2-ethoxybutan-1-amine
CID 106654440
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
1-(cyclohepten-1-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 106654542

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine (CID 106654431) is 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine is CCC(OC)C(NC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine?
The InChIKey is GWHIGUKWJJVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11(14-3)12(13-2)10-8-6-5-7-9-10/h8,11-13H,4-7,9H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine?
1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 106654431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).