(E)-4-methylpent-2-en-1-amine

C6H13N — CID 19973678

IUPAC(E)-4-methylpent-2-en-1-amine
SMILESCC(C)/C=C/CN
InChIInChI=1S/C6H13N/c1-6(2)4-3-5-7/h3-4,6H,5,7H2,1-2H3/b4-3+
InChIKeyVZGNGZHVERZLQY-ONEGZZNKSA-N
MW99.18 g/mol
LogP1.16
Rot. Bonds2

About (E)-4-methylpent-2-en-1-amine

(E)-4-methylpent-2-en-1-amine (PubChem CID 19973678) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (E)-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-methylpent-2-en-1-amine
PubChem CID19973678
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(E)-4-methylpent-2-en-1-amine
SMILESCC(C)/C=C/CN
InChIInChI=1S/C6H13N/c1-6(2)4-3-5-7/h3-4,6H,5,7H2,1-2H3/b4-3+
InChIKeyVZGNGZHVERZLQY-ONEGZZNKSA-N
XLogP1.16
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 ≤ 51.16
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 (E)-4-methylpent-2-en-1-amine?
The IUPAC name of (E)-4-methylpent-2-en-1-amine (CID 19973678) is (E)-4-methylpent-2-en-1-amine.
What is the SMILES notation for (E)-4-methylpent-2-en-1-amine?
The canonical SMILES for (E)-4-methylpent-2-en-1-amine is CC(C)/C=C/CN.
What is the InChIKey of (E)-4-methylpent-2-en-1-amine?
The InChIKey is VZGNGZHVERZLQY-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)4-3-5-7/h3-4,6H,5,7H2,1-2H3/b4-3+.
What are the key properties of (E)-4-methylpent-2-en-1-amine?
(E)-4-methylpent-2-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylpent-2-en-1-amine is sourced from PubChem (CID 19973678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).