6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene

C12H27N3 — CID 139459994

IUPAC6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene
SMILESC=CCCC(CNNNC(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-6-7-8-12(10(2)3)9-13-15-14-11(4)5/h6,10-15H,1,7-9H2,2-5H3
InChIKeyAMFUCVYFAITEDF-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.23
Rot. Bonds9

About 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene

6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene (PubChem CID 139459994) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene.

Molecular Properties

Compound Name6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene
PubChem CID139459994
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene
SMILESC=CCCC(CNNNC(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-6-7-8-12(10(2)3)9-13-15-14-11(4)5/h6,10-15H,1,7-9H2,2-5H3
InChIKeyAMFUCVYFAITEDF-UHFFFAOYSA-N
XLogP2.23
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene 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 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene?
The IUPAC name of 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene (CID 139459994) is 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene.
What is the SMILES notation for 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene?
The canonical SMILES for 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene is C=CCCC(CNNNC(C)C)C(C)C.
What is the InChIKey of 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene?
The InChIKey is AMFUCVYFAITEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-6-7-8-12(10(2)3)9-13-15-14-11(4)5/h6,10-15H,1,7-9H2,2-5H3.
What are the key properties of 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene?
6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene has a molecular weight of 213.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[2-(propan-2-ylamino)hydrazinyl]methyl]hept-1-ene is sourced from PubChem (CID 139459994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).