(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine

C8H13N — CID 87160586

IUPAC(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine
SMILESC=C/C(C)=C\C(N)=C/C
InChIInChI=1S/C8H13N/c1-4-7(3)6-8(9)5-2/h4-6H,1,9H2,2-3H3/b7-6-,8-5+
InChIKeyOTOZEJRGXPWFJW-WNXMRAAYSA-N
MW123.20 g/mol
LogP1.98
Rot. Bonds2

About (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine

(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine (PubChem CID 87160586) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine
PubChem CID87160586
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine
SMILESC=C/C(C)=C\C(N)=C/C
InChIInChI=1S/C8H13N/c1-4-7(3)6-8(9)5-2/h4-6H,1,9H2,2-3H3/b7-6-,8-5+
InChIKeyOTOZEJRGXPWFJW-WNXMRAAYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.98
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 (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine (CID 87160586) is (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine is C=C/C(C)=C\C(N)=C/C.
What is the InChIKey of (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine?
The InChIKey is OTOZEJRGXPWFJW-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7(3)6-8(9)5-2/h4-6H,1,9H2,2-3H3/b7-6-,8-5+.
What are the key properties of (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine?
(2E,4Z)-5-methylhepta-2,4,6-trien-3-amine has a molecular weight of 123.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-methylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 87160586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).