(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine

C12H23N — CID 14455015

IUPAC(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine
SMILESCCCC/C=C/N/C=C/CCCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-13H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyXZLKDYHDIFFGFT-WGDLNXRISA-N
MW181.32 g/mol
LogP3.98
Rot. Bonds8

About (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine

(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine (PubChem CID 14455015) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine
PubChem CID14455015
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine
SMILESCCCC/C=C/N/C=C/CCCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-13H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyXZLKDYHDIFFGFT-WGDLNXRISA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.98
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 (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine?
The IUPAC name of (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine (CID 14455015) is (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine.
What is the SMILES notation for (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine?
The canonical SMILES for (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine is CCCC/C=C/N/C=C/CCCC.
What is the InChIKey of (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine?
The InChIKey is XZLKDYHDIFFGFT-WGDLNXRISA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9-13H,3-8H2,1-2H3/b11-9+,12-10+.
What are the key properties of (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine?
(E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-hex-1-enyl]hex-1-en-1-amine is sourced from PubChem (CID 14455015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).