(4E,7E)-N-butyldeca-4,7,9-trien-2-amine

C14H25N — CID 5369245

IUPAC(4E,7E)-N-butyldeca-4,7,9-trien-2-amine
SMILESC=C/C=C/C/C=C/CC(C)NCCCC
InChIInChI=1S/C14H25N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,6,8,10-11,14-15H,1,5,7,9,12-13H2,2-3H3/b8-6+,11-10+
InChIKeyJEAJDIWSQBQTHU-UMYLGFLZSA-N
MW207.36 g/mol
LogP3.84
Rot. Bonds9

About (4E,7E)-N-butyldeca-4,7,9-trien-2-amine

(4E,7E)-N-butyldeca-4,7,9-trien-2-amine (PubChem CID 5369245) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4E,7E)-N-butyldeca-4,7,9-trien-2-amine.

Molecular Properties

Compound Name(4E,7E)-N-butyldeca-4,7,9-trien-2-amine
PubChem CID5369245
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4E,7E)-N-butyldeca-4,7,9-trien-2-amine
SMILESC=C/C=C/C/C=C/CC(C)NCCCC
InChIInChI=1S/C14H25N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,6,8,10-11,14-15H,1,5,7,9,12-13H2,2-3H3/b8-6+,11-10+
InChIKeyJEAJDIWSQBQTHU-UMYLGFLZSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,7E)-N-butyldeca-4,7,9-trien-2-amine?
The IUPAC name of (4E,7E)-N-butyldeca-4,7,9-trien-2-amine (CID 5369245) is (4E,7E)-N-butyldeca-4,7,9-trien-2-amine.
What is the SMILES notation for (4E,7E)-N-butyldeca-4,7,9-trien-2-amine?
The canonical SMILES for (4E,7E)-N-butyldeca-4,7,9-trien-2-amine is C=C/C=C/C/C=C/CC(C)NCCCC.
What is the InChIKey of (4E,7E)-N-butyldeca-4,7,9-trien-2-amine?
The InChIKey is JEAJDIWSQBQTHU-UMYLGFLZSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-8-9-10-11-12-14(3)15-13-7-5-2/h4,6,8,10-11,14-15H,1,5,7,9,12-13H2,2-3H3/b8-6+,11-10+.
What are the key properties of (4E,7E)-N-butyldeca-4,7,9-trien-2-amine?
(4E,7E)-N-butyldeca-4,7,9-trien-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E)-N-butyldeca-4,7,9-trien-2-amine is sourced from PubChem (CID 5369245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).