(E)-4-propan-2-yliminopent-2-en-3-amine

C8H16N2 — CID 134465211

IUPAC(E)-4-propan-2-yliminopent-2-en-3-amine
SMILESC/C=C(N)\C(C)=N\C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9)7(4)10-6(2)3/h5-6H,9H2,1-4H3/b8-5+,10-7+
InChIKeyZHYKTQZUWAWGNE-FQOLVZPASA-N
MW140.23 g/mol
LogP1.72
Rot. Bonds2

About (E)-4-propan-2-yliminopent-2-en-3-amine

(E)-4-propan-2-yliminopent-2-en-3-amine (PubChem CID 134465211) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E)-4-propan-2-yliminopent-2-en-3-amine.

Molecular Properties

Compound Name(E)-4-propan-2-yliminopent-2-en-3-amine
PubChem CID134465211
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E)-4-propan-2-yliminopent-2-en-3-amine
SMILESC/C=C(N)\C(C)=N\C(C)C
InChIInChI=1S/C8H16N2/c1-5-8(9)7(4)10-6(2)3/h5-6H,9H2,1-4H3/b8-5+,10-7+
InChIKeyZHYKTQZUWAWGNE-FQOLVZPASA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-propan-2-yliminopent-2-en-3-amine?
The IUPAC name of (E)-4-propan-2-yliminopent-2-en-3-amine (CID 134465211) is (E)-4-propan-2-yliminopent-2-en-3-amine.
What is the SMILES notation for (E)-4-propan-2-yliminopent-2-en-3-amine?
The canonical SMILES for (E)-4-propan-2-yliminopent-2-en-3-amine is C/C=C(N)\C(C)=N\C(C)C.
What is the InChIKey of (E)-4-propan-2-yliminopent-2-en-3-amine?
The InChIKey is ZHYKTQZUWAWGNE-FQOLVZPASA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(9)7(4)10-6(2)3/h5-6H,9H2,1-4H3/b8-5+,10-7+.
What are the key properties of (E)-4-propan-2-yliminopent-2-en-3-amine?
(E)-4-propan-2-yliminopent-2-en-3-amine has a molecular weight of 140.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-propan-2-yliminopent-2-en-3-amine is sourced from PubChem (CID 134465211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).