1-hydrazinylidene-N-propan-2-ylpropan-2-imine

C6H13N3 — CID 174073381

IUPAC1-hydrazinylidene-N-propan-2-ylpropan-2-imine
SMILESC/C(C=NN)=N\C(C)C
InChIInChI=1S/C6H13N3/c1-5(2)9-6(3)4-8-7/h4-5H,7H2,1-3H3/b8-4?,9-6+
InChIKeyXILOKBVKOZXFFG-DZFRZOFSSA-N
MW127.19 g/mol
LogP0.80
Rot. Bonds2

About 1-hydrazinylidene-N-propan-2-ylpropan-2-imine

1-hydrazinylidene-N-propan-2-ylpropan-2-imine (PubChem CID 174073381) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-hydrazinylidene-N-propan-2-ylpropan-2-imine.

Molecular Properties

Compound Name1-hydrazinylidene-N-propan-2-ylpropan-2-imine
PubChem CID174073381
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-hydrazinylidene-N-propan-2-ylpropan-2-imine
SMILESC/C(C=NN)=N\C(C)C
InChIInChI=1S/C6H13N3/c1-5(2)9-6(3)4-8-7/h4-5H,7H2,1-3H3/b8-4?,9-6+
InChIKeyXILOKBVKOZXFFG-DZFRZOFSSA-N
XLogP0.80
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
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 1-hydrazinylidene-N-propan-2-ylpropan-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

zinc bis((E)-1-ethoxy-3-propan-2-yliminobut-1-en-1-olate)
CID 139152647
CID 155576926
CID 155576926
2-propan-2-ylguanidine;sulfuric acid
CID 11644095
(Z)-5-bromo-N-(1-fluoroethyl)hex-3-en-2-imine
CID 174070371
N-propan-2-ylbutan-2-imine
CID 535666
N'-propan-2-yl-N-propan-2-ylideneethanimidamide
CID 143703583
(2S)-2-amino-N'-propan-2-ylpropanimidamide
CID 153012728
(3R)-3-chloro-N-propan-2-ylbutan-2-imine
CID 102396350
(Z)-[(E)-2-chlorobut-2-enylidene]hydrazine
CID 155129219
N,N'-di(propan-2-yl)ethanimidamide
CID 11205611
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
5-methyl-N-propan-2-ylhex-4-en-3-imine
CID 130433844

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylidene-N-propan-2-ylpropan-2-imine?
The IUPAC name of 1-hydrazinylidene-N-propan-2-ylpropan-2-imine (CID 174073381) is 1-hydrazinylidene-N-propan-2-ylpropan-2-imine.
What is the SMILES notation for 1-hydrazinylidene-N-propan-2-ylpropan-2-imine?
The canonical SMILES for 1-hydrazinylidene-N-propan-2-ylpropan-2-imine is C/C(C=NN)=N\C(C)C.
What is the InChIKey of 1-hydrazinylidene-N-propan-2-ylpropan-2-imine?
The InChIKey is XILOKBVKOZXFFG-DZFRZOFSSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)9-6(3)4-8-7/h4-5H,7H2,1-3H3/b8-4?,9-6+.
What are the key properties of 1-hydrazinylidene-N-propan-2-ylpropan-2-imine?
1-hydrazinylidene-N-propan-2-ylpropan-2-imine has a molecular weight of 127.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylidene-N-propan-2-ylpropan-2-imine is sourced from PubChem (CID 174073381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).