1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine

C13H25NO — CID 116661379

IUPAC1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine
SMILESCOCCC(C)C(N)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10,14H2,1-2H3
InChIKeyZBLFRHAFCUELQR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds6

About 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine

1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine (PubChem CID 116661379) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine
PubChem CID116661379
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine
SMILESCOCCC(C)C(N)CC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10,14H2,1-2H3
InChIKeyZBLFRHAFCUELQR-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
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

[(E)-2-(2-aminopropyl)non-6-enyl] hypofluorite
CID 169978298
4-(Cyclohexen-1-yl)-4-fluoro-5-methoxypentan-1-amine
CID 106655075
4-[4-(Methoxymethyl)cyclohex-3-en-1-yl]butan-2-amine
CID 68340930
(1S)-1-[5-tert-butyl-3-(methoxymethyl)cyclohex-2-en-1-yl]ethanamine
CID 68341149
(2S)-1-methoxy-3-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]propan-2-amine
CID 68396138
4-(3-Methoxypropyl)cyclohex-3-en-1-amine
CID 89131571
(1S,5R,6R)-6-methyl-5-pentan-3-yloxy-3-propan-2-ylcyclohex-3-en-1-amine
CID 89804945
Amino-[4-(1-aminoethyl)cyclohex-3-en-1-yl]methanol
CID 122691909
3-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)-1-ethoxypropan-1-amine
CID 123165644
Methoxy-(3-penta-2,4-dien-2-ylcyclohexyl)methanamine
CID 123619546
[(1S,4S)-2-(methoxymethyl)-4-methylcyclohex-2-en-1-yl]methanamine
CID 131971212
4-(2,3,6,7-Tetrahydrooxepin-4-ylmethyl)cyclohexan-1-amine
CID 142935844

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine (CID 116661379) is 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine is COCCC(C)C(N)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine?
The InChIKey is ZBLFRHAFCUELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(8-9-15-2)13(14)10-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10,14H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine?
1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 116661379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).