4-methylpent-3-en-2-imine

C6H11N — CID 23064943

IUPAC4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)C
InChIInChI=1S/C6H11N/c1-5(2)4-6(3)7/h4,7H,1-3H3/b7-6+
InChIKeyPNZIWJNPAQUJQC-VOTSOKGWSA-N
MW97.16 g/mol
LogP1.99
Rot. Bonds1

About 4-methylpent-3-en-2-imine

4-methylpent-3-en-2-imine (PubChem CID 23064943) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name4-methylpent-3-en-2-imine
PubChem CID23064943
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-methylpent-3-en-2-imine
SMILES[H]/N=C(\C)C=C(C)C
InChIInChI=1S/C6H11N/c1-5(2)4-6(3)7/h4,7H,1-3H3/b7-6+
InChIKeyPNZIWJNPAQUJQC-VOTSOKGWSA-N
XLogP1.99
TPSA23.85 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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-methylpent-3-en-2-imine?
The IUPAC name of 4-methylpent-3-en-2-imine (CID 23064943) is 4-methylpent-3-en-2-imine.
What is the SMILES notation for 4-methylpent-3-en-2-imine?
The canonical SMILES for 4-methylpent-3-en-2-imine is [H]/N=C(\C)C=C(C)C.
What is the InChIKey of 4-methylpent-3-en-2-imine?
The InChIKey is PNZIWJNPAQUJQC-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)4-6(3)7/h4,7H,1-3H3/b7-6+.
What are the key properties of 4-methylpent-3-en-2-imine?
4-methylpent-3-en-2-imine has a molecular weight of 97.16 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-en-2-imine is sourced from PubChem (CID 23064943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).