4-methylpenta-1,3-dien-1-amine

C6H11N — CID 59886133

IUPAC4-methylpenta-1,3-dien-1-amine
SMILESCC(C)=CC=CN
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7/h3-5H,7H2,1-2H3
InChIKeyIVTWTMMWSNXMKG-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.42
Rot. Bonds1

About 4-methylpenta-1,3-dien-1-amine

4-methylpenta-1,3-dien-1-amine (PubChem CID 59886133) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methylpenta-1,3-dien-1-amine
PubChem CID59886133
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-methylpenta-1,3-dien-1-amine
SMILESCC(C)=CC=CN
InChIInChI=1S/C6H11N/c1-6(2)4-3-5-7/h3-5H,7H2,1-2H3
InChIKeyIVTWTMMWSNXMKG-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.42
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-methylpenta-1,3-dien-1-amine?
The IUPAC name of 4-methylpenta-1,3-dien-1-amine (CID 59886133) is 4-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for 4-methylpenta-1,3-dien-1-amine?
The canonical SMILES for 4-methylpenta-1,3-dien-1-amine is CC(C)=CC=CN.
What is the InChIKey of 4-methylpenta-1,3-dien-1-amine?
The InChIKey is IVTWTMMWSNXMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)4-3-5-7/h3-5H,7H2,1-2H3.
What are the key properties of 4-methylpenta-1,3-dien-1-amine?
4-methylpenta-1,3-dien-1-amine has a molecular weight of 97.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 59886133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).