(2E)-3-propan-2-ylpenta-2,4-dien-1-imine

C8H13N — CID 58352423

IUPAC(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(/C=C)C(C)C
InChIInChI=1S/C8H13N/c1-4-8(5-6-9)7(2)3/h4-7,9H,1H2,2-3H3/b8-5-,9-6+
InChIKeyCAKZQKFZSKSGOB-LDFAFZTOSA-N
MW123.20 g/mol
LogP2.40
Rot. Bonds3

About (2E)-3-propan-2-ylpenta-2,4-dien-1-imine

(2E)-3-propan-2-ylpenta-2,4-dien-1-imine (PubChem CID 58352423) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E)-3-propan-2-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
PubChem CID58352423
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E)-3-propan-2-ylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(/C=C)C(C)C
InChIInChI=1S/C8H13N/c1-4-8(5-6-9)7(2)3/h4-7,9H,1H2,2-3H3/b8-5-,9-6+
InChIKeyCAKZQKFZSKSGOB-LDFAFZTOSA-N
XLogP2.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-propan-2-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-3-propan-2-ylpenta-2,4-dien-1-imine (CID 58352423) is (2E)-3-propan-2-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-3-propan-2-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-3-propan-2-ylpenta-2,4-dien-1-imine is [H]/N=C/C=C(/C=C)C(C)C.
What is the InChIKey of (2E)-3-propan-2-ylpenta-2,4-dien-1-imine?
The InChIKey is CAKZQKFZSKSGOB-LDFAFZTOSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(5-6-9)7(2)3/h4-7,9H,1H2,2-3H3/b8-5-,9-6+.
What are the key properties of (2E)-3-propan-2-ylpenta-2,4-dien-1-imine?
(2E)-3-propan-2-ylpenta-2,4-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-propan-2-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 58352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).