N-[amino(methylamino)methyl]formamide

C3H9N3O — CID 118153070

IUPACN-[amino(methylamino)methyl]formamide
SMILESCNC(N)NC=O
InChIInChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h2-3,5H,4H2,1H3,(H,6,7)
InChIKeyGQEFNHHEPXRRBJ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.81
Rot. Bonds3

About N-[amino(methylamino)methyl]formamide

N-[amino(methylamino)methyl]formamide (PubChem CID 118153070) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is N-[amino(methylamino)methyl]formamide.

Molecular Properties

Compound NameN-[amino(methylamino)methyl]formamide
PubChem CID118153070
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC NameN-[amino(methylamino)methyl]formamide
SMILESCNC(N)NC=O
InChIInChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h2-3,5H,4H2,1H3,(H,6,7)
InChIKeyGQEFNHHEPXRRBJ-UHFFFAOYSA-N
XLogP-1.81
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino(methylamino)methyl]formamide?
The IUPAC name of N-[amino(methylamino)methyl]formamide (CID 118153070) is N-[amino(methylamino)methyl]formamide.
What is the SMILES notation for N-[amino(methylamino)methyl]formamide?
The canonical SMILES for N-[amino(methylamino)methyl]formamide is CNC(N)NC=O.
What is the InChIKey of N-[amino(methylamino)methyl]formamide?
The InChIKey is GQEFNHHEPXRRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-5-3(4)6-2-7/h2-3,5H,4H2,1H3,(H,6,7).
What are the key properties of N-[amino(methylamino)methyl]formamide?
N-[amino(methylamino)methyl]formamide has a molecular weight of 103.12 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(methylamino)methyl]formamide is sourced from PubChem (CID 118153070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).