1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine

C15H29NO — CID 103036048

IUPAC1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C15H29NO/c1-15(2,17-4)11-10-14(16-3)12-13-8-6-5-7-9-13/h8,14,16H,5-7,9-12H2,1-4H3
InChIKeyCPSRASJOBZVSBB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds7

About 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine

1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine (PubChem CID 103036048) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
PubChem CID103036048
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)CC1=CCCCC1
InChIInChI=1S/C15H29NO/c1-15(2,17-4)11-10-14(16-3)12-13-8-6-5-7-9-13/h8,14,16H,5-7,9-12H2,1-4H3
InChIKeyCPSRASJOBZVSBB-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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

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4-(4-hydroxy-4-methylpentyl)-N-methylcyclohex-3-en-1-amine oxide
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N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
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N-[cyclopenten-1-yl(oxan-4-yl)methyl]ethanamine
CID 62904966
N-[cyclopenten-1-yl(oxan-4-yl)methyl]propan-1-amine
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CID 62907584

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine (CID 103036048) is 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine is CNC(CCC(C)(C)OC)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The InChIKey is CPSRASJOBZVSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2,17-4)11-10-14(16-3)12-13-8-6-5-7-9-13/h8,14,16H,5-7,9-12H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
1-(cyclohexen-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 7 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-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 103036048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).