1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine

C13H25NO — CID 116767736

IUPAC1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-5-7-12(14-3)13(15-4)9-6-8-11(2)10-13/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyABNHVLUVUYNEIT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds5

About 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine

1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine (PubChem CID 116767736) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
PubChem CID116767736
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1(OC)CCCC(C)C1
InChIInChI=1S/C13H25NO/c1-5-7-12(14-3)13(15-4)9-6-8-11(2)10-13/h5,11-12,14H,1,6-10H2,2-4H3
InChIKeyABNHVLUVUYNEIT-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767760
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxy-3-methylcyclohexyl)pent-4-enylhydrazine
CID 105277517
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 116767832
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylpropan-1-amine
CID 116767848
1-(1-methoxy-3-methylcyclohexyl)-N,2-dimethylprop-2-en-1-amine
CID 116767764
2-(4-bromo-2-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767753
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine (CID 116767736) is 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine is C=CCC(NC)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine?
The InChIKey is ABNHVLUVUYNEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-12(14-3)13(15-4)9-6-8-11(2)10-13/h5,11-12,14H,1,6-10H2,2-4H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine?
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 116767736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).