N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine

C9H23N3 — CID 174194599

IUPACN-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine
SMILESCCN(C)CNNCCC(C)C
InChIInChI=1S/C9H23N3/c1-5-12(4)8-11-10-7-6-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyAGAXKGCBLIXYOJ-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.04
Rot. Bonds7

About N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine

N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine (PubChem CID 174194599) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine
PubChem CID174194599
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine
SMILESCCN(C)CNNCCC(C)C
InChIInChI=1S/C9H23N3/c1-5-12(4)8-11-10-7-6-9(2)3/h9-11H,5-8H2,1-4H3
InChIKeyAGAXKGCBLIXYOJ-UHFFFAOYSA-N
XLogP1.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine 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 N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine (CID 174194599) is N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine is CCN(C)CNNCCC(C)C.
What is the InChIKey of N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine?
The InChIKey is AGAXKGCBLIXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-5-12(4)8-11-10-7-6-9(2)3/h9-11H,5-8H2,1-4H3.
What are the key properties of N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine?
N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine has a molecular weight of 173.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine is sourced from PubChem (CID 174194599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).