(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine

C14H19N — CID 145412761

IUPAC(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
SMILESC/C=C/C=C\C=C(C)/C=C/C=C/C=C\N
InChIInChI=1S/C14H19N/c1-3-4-5-8-11-14(2)12-9-6-7-10-13-15/h3-13H,15H2,1-2H3/b4-3+,7-6+,8-5-,12-9+,13-10-,14-11-
InChIKeyDCPPSBGKPXRUHY-IKBIMCPUSA-N
MW201.31 g/mol
LogP3.65
Rot. Bonds5

About (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine

(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine (PubChem CID 145412761) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine.

Molecular Properties

Compound Name(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
PubChem CID145412761
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
SMILESC/C=C/C=C\C=C(C)/C=C/C=C/C=C\N
InChIInChI=1S/C14H19N/c1-3-4-5-8-11-14(2)12-9-6-7-10-13-15/h3-13H,15H2,1-2H3/b4-3+,7-6+,8-5-,12-9+,13-10-,14-11-
InChIKeyDCPPSBGKPXRUHY-IKBIMCPUSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine with MolForge

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Related Compounds

(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(1E,3Z,5Z)-hepta-1,3,5-trien-1-amine
CID 89016465
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
2-methyldeca-2,4,6,8-tetraene
CID 123313204
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
(3E,5E,7E,9E,11E,13Z,15E,17E)-3,7,12,16-tetramethylnonadeca-3,5,7,9,11,13,15,17-octaen-2-one
CID 10496105
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
3-methylocta-2,4,6-trienamide
CID 141023741
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine?
The IUPAC name of (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine (CID 145412761) is (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine.
What is the SMILES notation for (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine?
The canonical SMILES for (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine is C/C=C/C=C\C=C(C)/C=C/C=C/C=C\N.
What is the InChIKey of (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine?
The InChIKey is DCPPSBGKPXRUHY-IKBIMCPUSA-N. The full InChI is InChI=1S/C14H19N/c1-3-4-5-8-11-14(2)12-9-6-7-10-13-15/h3-13H,15H2,1-2H3/b4-3+,7-6+,8-5-,12-9+,13-10-,14-11-.
What are the key properties of (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine?
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine is sourced from PubChem (CID 145412761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).