3-imino-1-(2-methylhydrazinyl)propan-1-amine

C4H12N4 — CID 90437302

IUPAC3-imino-1-(2-methylhydrazinyl)propan-1-amine
SMILES[H]/N=C/CC(N)NNC
InChIInChI=1S/C4H12N4/c1-7-8-4(6)2-3-5/h3-5,7-8H,2,6H2,1H3/b5-3+
InChIKeyPLMKQGCDJLWTIW-HWKANZROSA-N
MW116.17 g/mol
LogP-0.97
Rot. Bonds4

About 3-imino-1-(2-methylhydrazinyl)propan-1-amine

3-imino-1-(2-methylhydrazinyl)propan-1-amine (PubChem CID 90437302) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 3-imino-1-(2-methylhydrazinyl)propan-1-amine.

Molecular Properties

Compound Name3-imino-1-(2-methylhydrazinyl)propan-1-amine
PubChem CID90437302
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name3-imino-1-(2-methylhydrazinyl)propan-1-amine
SMILES[H]/N=C/CC(N)NNC
InChIInChI=1S/C4H12N4/c1-7-8-4(6)2-3-5/h3-5,7-8H,2,6H2,1H3/b5-3+
InChIKeyPLMKQGCDJLWTIW-HWKANZROSA-N
XLogP-0.97
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-imino-1-(2-methylhydrazinyl)propan-1-amine?
The IUPAC name of 3-imino-1-(2-methylhydrazinyl)propan-1-amine (CID 90437302) is 3-imino-1-(2-methylhydrazinyl)propan-1-amine.
What is the SMILES notation for 3-imino-1-(2-methylhydrazinyl)propan-1-amine?
The canonical SMILES for 3-imino-1-(2-methylhydrazinyl)propan-1-amine is [H]/N=C/CC(N)NNC.
What is the InChIKey of 3-imino-1-(2-methylhydrazinyl)propan-1-amine?
The InChIKey is PLMKQGCDJLWTIW-HWKANZROSA-N. The full InChI is InChI=1S/C4H12N4/c1-7-8-4(6)2-3-5/h3-5,7-8H,2,6H2,1H3/b5-3+.
What are the key properties of 3-imino-1-(2-methylhydrazinyl)propan-1-amine?
3-imino-1-(2-methylhydrazinyl)propan-1-amine has a molecular weight of 116.17 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-(2-methylhydrazinyl)propan-1-amine is sourced from PubChem (CID 90437302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).