(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine

C14H25N — CID 143649845

IUPAC(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine
SMILESCCC/C=C/C=C(N)\C=C(/C)CCCC
InChIInChI=1S/C14H25N/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h8-9,11-12H,4-7,10,15H2,1-3H3/b9-8+,13-12+,14-11+
InChIKeyDJYHZGVBVVNDNU-YCOAFFKSSA-N
MW207.36 g/mol
LogP4.32
Rot. Bonds7

About (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine

(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine (PubChem CID 143649845) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine.

Molecular Properties

Compound Name(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine
PubChem CID143649845
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine
SMILESCCC/C=C/C=C(N)\C=C(/C)CCCC
InChIInChI=1S/C14H25N/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h8-9,11-12H,4-7,10,15H2,1-3H3/b9-8+,13-12+,14-11+
InChIKeyDJYHZGVBVVNDNU-YCOAFFKSSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,9,12-trimethylpentadeca-4,6,8-triene
CID 123487662
(5Z)-dodeca-5,7-dien-5-ol
CID 87161212
3-methylpentadec-2-enamide
CID 174903366
2-methyldodeca-2,4-dienamide
CID 168877598
(2E,4E)-2-methylpentadeca-2,4-dienamide
CID 169003282
(2E,4E)-2-methylheptacosa-2,4-dienamide
CID 169003266
2-methylpentadeca-2,4-dienamide
CID 168877600
2-methyltrideca-2,4-dienamide
CID 154353968
(2E,4E)-2-methyldodeca-2,4-dien-1-ol
CID 16737921
3-methylnona-1,3,5-triene
CID 154088357
3-methylnona-3,5-dien-2-one
CID 173004598
(3Z,5Z)-3-methylnona-1,3,5-triene
CID 144680511

Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine?
The IUPAC name of (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine (CID 143649845) is (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine.
What is the SMILES notation for (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine?
The canonical SMILES for (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine is CCC/C=C/C=C(N)\C=C(/C)CCCC.
What is the InChIKey of (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine?
The InChIKey is DJYHZGVBVVNDNU-YCOAFFKSSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-8-9-11-14(15)12-13(3)10-7-5-2/h8-9,11-12H,4-7,10,15H2,1-3H3/b9-8+,13-12+,14-11+.
What are the key properties of (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine?
(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine has a molecular weight of 207.36 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine is sourced from PubChem (CID 143649845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).