4-methylpent-3-en-1-amine

C6H13N — CID 533848

IUPAC4-methylpent-3-en-1-amine
SMILESCC(C)=CCCN
InChIInChI=1S/C6H13N/c1-6(2)4-3-5-7/h4H,3,5,7H2,1-2H3
InChIKeyKGNHJDRDIDXUHY-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.30
Rot. Bonds2

About 4-methylpent-3-en-1-amine

4-methylpent-3-en-1-amine (PubChem CID 533848) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methylpent-3-en-1-amine
PubChem CID533848
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name4-methylpent-3-en-1-amine
SMILESCC(C)=CCCN
InChIInChI=1S/C6H13N/c1-6(2)4-3-5-7/h4H,3,5,7H2,1-2H3
InChIKeyKGNHJDRDIDXUHY-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-en-1-amine?
The IUPAC name of 4-methylpent-3-en-1-amine (CID 533848) is 4-methylpent-3-en-1-amine.
What is the SMILES notation for 4-methylpent-3-en-1-amine?
The canonical SMILES for 4-methylpent-3-en-1-amine is CC(C)=CCCN.
What is the InChIKey of 4-methylpent-3-en-1-amine?
The InChIKey is KGNHJDRDIDXUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)4-3-5-7/h4H,3,5,7H2,1-2H3.
What are the key properties of 4-methylpent-3-en-1-amine?
4-methylpent-3-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-1-amine is sourced from PubChem (CID 533848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).