(2E,4E)-4-methylhepta-2,4-dien-1-amine

C8H15N — CID 6375743

IUPAC(2E,4E)-4-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C)/C=C/CN
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3/b6-4+,8-5+
InChIKeyASIDTRAFPCNTJX-HLQBBKRNSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds3

About (2E,4E)-4-methylhepta-2,4-dien-1-amine

(2E,4E)-4-methylhepta-2,4-dien-1-amine (PubChem CID 6375743) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E,4E)-4-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-4-methylhepta-2,4-dien-1-amine
PubChem CID6375743
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E,4E)-4-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C)/C=C/CN
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3/b6-4+,8-5+
InChIKeyASIDTRAFPCNTJX-HLQBBKRNSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
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,4E)-4-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-4-methylhepta-2,4-dien-1-amine (CID 6375743) is (2E,4E)-4-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-4-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-4-methylhepta-2,4-dien-1-amine is CC/C=C(C)/C=C/CN.
What is the InChIKey of (2E,4E)-4-methylhepta-2,4-dien-1-amine?
The InChIKey is ASIDTRAFPCNTJX-HLQBBKRNSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3/b6-4+,8-5+.
What are the key properties of (2E,4E)-4-methylhepta-2,4-dien-1-amine?
(2E,4E)-4-methylhepta-2,4-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 6375743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).