1-[amino(methyl)amino]-N-(ethylideneamino)methanamine

C4H12N4 — CID 163782706

IUPAC1-[amino(methyl)amino]-N-(ethylideneamino)methanamine
SMILESCC=NNCN(C)N
InChIInChI=1S/C4H12N4/c1-3-6-7-4-8(2)5/h3,7H,4-5H2,1-2H3
InChIKeyMPXOGXCLWYJBNI-UHFFFAOYSA-N
MW116.17 g/mol
LogP-0.66
Rot. Bonds3

About 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine

1-[amino(methyl)amino]-N-(ethylideneamino)methanamine (PubChem CID 163782706) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine.

Molecular Properties

Compound Name1-[amino(methyl)amino]-N-(ethylideneamino)methanamine
PubChem CID163782706
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Name1-[amino(methyl)amino]-N-(ethylideneamino)methanamine
SMILESCC=NNCN(C)N
InChIInChI=1S/C4H12N4/c1-3-6-7-4-8(2)5/h3,7H,4-5H2,1-2H3
InChIKeyMPXOGXCLWYJBNI-UHFFFAOYSA-N
XLogP-0.66
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine?
The IUPAC name of 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine (CID 163782706) is 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine.
What is the SMILES notation for 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine?
The canonical SMILES for 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine is CC=NNCN(C)N.
What is the InChIKey of 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine?
The InChIKey is MPXOGXCLWYJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4/c1-3-6-7-4-8(2)5/h3,7H,4-5H2,1-2H3.
What are the key properties of 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine?
1-[amino(methyl)amino]-N-(ethylideneamino)methanamine has a molecular weight of 116.17 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(methyl)amino]-N-(ethylideneamino)methanamine is sourced from PubChem (CID 163782706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).