(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine

C9H15N — CID 143275427

IUPAC(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCC(C)=C/C(C)=C\C=C\N
InChIInChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-7H,10H2,1-3H3/b6-4+,9-5-
InChIKeyGOTHZYXWFRSCJW-FBTALVJDSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine

(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine (PubChem CID 143275427) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
PubChem CID143275427
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
SMILESCC(C)=C/C(C)=C\C=C\N
InChIInChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-7H,10H2,1-3H3/b6-4+,9-5-
InChIKeyGOTHZYXWFRSCJW-FBTALVJDSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
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

2,4,13-trimethyltetradeca-2,4,6,8,10,12-hexaene
CID 173202075
2,4,15-trimethylhexadeca-2,4,6,8,10,12,14-heptaene
CID 173202044
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
2,4,7-trimethylocta-2,4,6-triene
CID 162298746
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
3,5-dimethylhexa-2,4-dienal
CID 71335802
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
CID 146550324
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine (CID 143275427) is (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine is CC(C)=C/C(C)=C\C=C\N.
What is the InChIKey of (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine?
The InChIKey is GOTHZYXWFRSCJW-FBTALVJDSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-7H,10H2,1-3H3/b6-4+,9-5-.
What are the key properties of (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine?
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143275427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).