4-methylhepta-2,4-dien-1-amine

C8H15N — CID 3826314

IUPAC4-methylhepta-2,4-dien-1-amine
SMILESCCC=C(C)C=CCN
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3
InChIKeyASIDTRAFPCNTJX-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds3

About 4-methylhepta-2,4-dien-1-amine

4-methylhepta-2,4-dien-1-amine (PubChem CID 3826314) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methylhepta-2,4-dien-1-amine
PubChem CID3826314
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methylhepta-2,4-dien-1-amine
SMILESCCC=C(C)C=CCN
InChIInChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3
InChIKeyASIDTRAFPCNTJX-UHFFFAOYSA-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 4-methylhepta-2,4-dien-1-amine?
The IUPAC name of 4-methylhepta-2,4-dien-1-amine (CID 3826314) is 4-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for 4-methylhepta-2,4-dien-1-amine?
The canonical SMILES for 4-methylhepta-2,4-dien-1-amine is CCC=C(C)C=CCN.
What is the InChIKey of 4-methylhepta-2,4-dien-1-amine?
The InChIKey is ASIDTRAFPCNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8(2)6-4-7-9/h4-6H,3,7,9H2,1-2H3.
What are the key properties of 4-methylhepta-2,4-dien-1-amine?
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 4-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 3826314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).