1-(cycloocten-1-yl)-3-methylbutan-1-amine

C13H25N — CID 106652467

IUPAC1-(cycloocten-1-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=CCCCCCC1
InChIInChI=1S/C13H25N/c1-11(2)10-13(14)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,14H2,1-2H3
InChIKeyHNWMEXWQRMREFS-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.64
Rot. Bonds3

About 1-(cycloocten-1-yl)-3-methylbutan-1-amine

1-(cycloocten-1-yl)-3-methylbutan-1-amine (PubChem CID 106652467) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-3-methylbutan-1-amine
PubChem CID106652467
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(cycloocten-1-yl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)C1=CCCCCCC1
InChIInChI=1S/C13H25N/c1-11(2)10-13(14)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,14H2,1-2H3
InChIKeyHNWMEXWQRMREFS-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclohepten-1-yl)-3-methylbutyl]hydrazine
CID 106648613
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclohepten-1-yl)heptan-1-amine
CID 114752507
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
1-(cyclohepten-1-yl)-2-propoxyethanamine
CID 106652723
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(cyclohepten-1-yl)-4-ethoxybutan-1-amine
CID 106657181

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(cycloocten-1-yl)-3-methylbutan-1-amine (CID 106652467) is 1-(cycloocten-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(cycloocten-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(cycloocten-1-yl)-3-methylbutan-1-amine is CC(C)CC(N)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-3-methylbutan-1-amine?
The InChIKey is HNWMEXWQRMREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)10-13(14)12-8-6-4-3-5-7-9-12/h8,11,13H,3-7,9-10,14H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-3-methylbutan-1-amine?
1-(cycloocten-1-yl)-3-methylbutan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 106652467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).