(1E)-N-butylcycloocten-1-amine

C12H23N — CID 89153703

IUPAC(1E)-N-butylcycloocten-1-amine
SMILESCCCCN/C1=C/CCCCCC1
InChIInChI=1S/C12H23N/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9,13H,2-8,10-11H2,1H3/b12-9+
InChIKeyLLVUFGVWDIVKPU-FMIVXFBMSA-N
MW181.32 g/mol
LogP3.61
Rot. Bonds4

About (1E)-N-butylcycloocten-1-amine

(1E)-N-butylcycloocten-1-amine (PubChem CID 89153703) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1E)-N-butylcycloocten-1-amine.

Molecular Properties

Compound Name(1E)-N-butylcycloocten-1-amine
PubChem CID89153703
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1E)-N-butylcycloocten-1-amine
SMILESCCCCN/C1=C/CCCCCC1
InChIInChI=1S/C12H23N/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9,13H,2-8,10-11H2,1H3/b12-9+
InChIKeyLLVUFGVWDIVKPU-FMIVXFBMSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-butylcycloocten-1-amine?
The IUPAC name of (1E)-N-butylcycloocten-1-amine (CID 89153703) is (1E)-N-butylcycloocten-1-amine.
What is the SMILES notation for (1E)-N-butylcycloocten-1-amine?
The canonical SMILES for (1E)-N-butylcycloocten-1-amine is CCCCN/C1=C/CCCCCC1.
What is the InChIKey of (1E)-N-butylcycloocten-1-amine?
The InChIKey is LLVUFGVWDIVKPU-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-11-13-12-9-7-5-4-6-8-10-12/h9,13H,2-8,10-11H2,1H3/b12-9+.
What are the key properties of (1E)-N-butylcycloocten-1-amine?
(1E)-N-butylcycloocten-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-butylcycloocten-1-amine is sourced from PubChem (CID 89153703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).