(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine

C14H19N — CID 20710682

IUPAC(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
SMILESC=C/C(C)=C/C=C/C=C/C=C/C=C/NC
InChIInChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/b6-5+,9-7+,10-8+,13-11+,14-12+
InChIKeyXOTWKQWAAMPYRL-IKBQUROISA-N
MW201.31 g/mol
LogP3.52
Rot. Bonds6

About (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine

(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine (PubChem CID 20710682) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine.

Molecular Properties

Compound Name(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
PubChem CID20710682
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
SMILESC=C/C(C)=C/C=C/C=C/C=C/C=C/NC
InChIInChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/b6-5+,9-7+,10-8+,13-11+,14-12+
InChIKeyXOTWKQWAAMPYRL-IKBQUROISA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The IUPAC name of (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine (CID 20710682) is (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine.
What is the SMILES notation for (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The canonical SMILES for (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine is C=C/C(C)=C/C=C/C=C/C=C/C=C/NC.
What is the InChIKey of (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
The InChIKey is XOTWKQWAAMPYRL-IKBQUROISA-N. The full InChI is InChI=1S/C14H19N/c1-4-14(2)12-10-8-6-5-7-9-11-13-15-3/h4-13,15H,1H2,2-3H3/b6-5+,9-7+,10-8+,13-11+,14-12+.
What are the key properties of (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine?
(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine is sourced from PubChem (CID 20710682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).