(2Z)-2-hydrazinylidene-4-methylpentan-1-imine

C6H13N3 — CID 90045616

IUPAC(2Z)-2-hydrazinylidene-4-methylpentan-1-imine
SMILES[H]/N=C/C(CC(C)C)=N\N
InChIInChI=1S/C6H13N3/c1-5(2)3-6(4-7)9-8/h4-5,7H,3,8H2,1-2H3/b7-4+,9-6-
InChIKeyDIBXOWXYOROOCV-DMDUXHFBSA-N
MW127.19 g/mol
LogP1.00
Rot. Bonds3

About (2Z)-2-hydrazinylidene-4-methylpentan-1-imine

(2Z)-2-hydrazinylidene-4-methylpentan-1-imine (PubChem CID 90045616) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-4-methylpentan-1-imine.

Molecular Properties

Compound Name(2Z)-2-hydrazinylidene-4-methylpentan-1-imine
PubChem CID90045616
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name(2Z)-2-hydrazinylidene-4-methylpentan-1-imine
SMILES[H]/N=C/C(CC(C)C)=N\N
InChIInChI=1S/C6H13N3/c1-5(2)3-6(4-7)9-8/h4-5,7H,3,8H2,1-2H3/b7-4+,9-6-
InChIKeyDIBXOWXYOROOCV-DMDUXHFBSA-N
XLogP1.00
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-hydrazinylidene-4-methylpentan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydrazinylidene-4-methylpentan-1-imine?
The IUPAC name of (2Z)-2-hydrazinylidene-4-methylpentan-1-imine (CID 90045616) is (2Z)-2-hydrazinylidene-4-methylpentan-1-imine.
What is the SMILES notation for (2Z)-2-hydrazinylidene-4-methylpentan-1-imine?
The canonical SMILES for (2Z)-2-hydrazinylidene-4-methylpentan-1-imine is [H]/N=C/C(CC(C)C)=N\N.
What is the InChIKey of (2Z)-2-hydrazinylidene-4-methylpentan-1-imine?
The InChIKey is DIBXOWXYOROOCV-DMDUXHFBSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)3-6(4-7)9-8/h4-5,7H,3,8H2,1-2H3/b7-4+,9-6-.
What are the key properties of (2Z)-2-hydrazinylidene-4-methylpentan-1-imine?
(2Z)-2-hydrazinylidene-4-methylpentan-1-imine has a molecular weight of 127.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydrazinylidene-4-methylpentan-1-imine is sourced from PubChem (CID 90045616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).