3-(2-methylhydrazinyl)propan-1-imine

C4H11N3 — CID 90437122

IUPAC3-(2-methylhydrazinyl)propan-1-imine
SMILES[H]/N=C/CCNNC
InChIInChI=1S/C4H11N3/c1-6-7-4-2-3-5/h3,5-7H,2,4H2,1H3/b5-3+
InChIKeyHRUIDKMLVPAETC-HWKANZROSA-N
MW101.15 g/mol
LogP-0.25
Rot. Bonds4

About 3-(2-methylhydrazinyl)propan-1-imine

3-(2-methylhydrazinyl)propan-1-imine (PubChem CID 90437122) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-(2-methylhydrazinyl)propan-1-imine.

Molecular Properties

Compound Name3-(2-methylhydrazinyl)propan-1-imine
PubChem CID90437122
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC Name3-(2-methylhydrazinyl)propan-1-imine
SMILES[H]/N=C/CCNNC
InChIInChI=1S/C4H11N3/c1-6-7-4-2-3-5/h3,5-7H,2,4H2,1H3/b5-3+
InChIKeyHRUIDKMLVPAETC-HWKANZROSA-N
XLogP-0.25
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylhydrazinyl)propan-1-imine?
The IUPAC name of 3-(2-methylhydrazinyl)propan-1-imine (CID 90437122) is 3-(2-methylhydrazinyl)propan-1-imine.
What is the SMILES notation for 3-(2-methylhydrazinyl)propan-1-imine?
The canonical SMILES for 3-(2-methylhydrazinyl)propan-1-imine is [H]/N=C/CCNNC.
What is the InChIKey of 3-(2-methylhydrazinyl)propan-1-imine?
The InChIKey is HRUIDKMLVPAETC-HWKANZROSA-N. The full InChI is InChI=1S/C4H11N3/c1-6-7-4-2-3-5/h3,5-7H,2,4H2,1H3/b5-3+.
What are the key properties of 3-(2-methylhydrazinyl)propan-1-imine?
3-(2-methylhydrazinyl)propan-1-imine has a molecular weight of 101.15 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylhydrazinyl)propan-1-imine is sourced from PubChem (CID 90437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).