(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine

C15H27N — CID 89203845

IUPAC(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine
SMILESC=C(/C=C/C=C/CCCCC)NCC(C)C
InChIInChI=1S/C15H27N/c1-5-6-7-8-9-10-11-12-15(4)16-13-14(2)3/h9-12,14,16H,4-8,13H2,1-3H3/b10-9+,12-11+
InChIKeyWGTNWYVWBBORBX-HULFFUFUSA-N
MW221.39 g/mol
LogP4.44
Rot. Bonds9

About (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine

(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine (PubChem CID 89203845) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine
PubChem CID89203845
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine
SMILESC=C(/C=C/C=C/CCCCC)NCC(C)C
InChIInChI=1S/C15H27N/c1-5-6-7-8-9-10-11-12-15(4)16-13-14(2)3/h9-12,14,16H,4-8,13H2,1-3H3/b10-9+,12-11+
InChIKeyWGTNWYVWBBORBX-HULFFUFUSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine?
The IUPAC name of (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine (CID 89203845) is (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine is C=C(/C=C/C=C/CCCCC)NCC(C)C.
What is the InChIKey of (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine?
The InChIKey is WGTNWYVWBBORBX-HULFFUFUSA-N. The full InChI is InChI=1S/C15H27N/c1-5-6-7-8-9-10-11-12-15(4)16-13-14(2)3/h9-12,14,16H,4-8,13H2,1-3H3/b10-9+,12-11+.
What are the key properties of (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine?
(3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-(2-methylpropyl)undeca-1,3,5-trien-2-amine is sourced from PubChem (CID 89203845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).