N-(diaminomethyl)-N-methylformamide

C3H9N3O — CID 139709544

IUPACN-(diaminomethyl)-N-methylformamide
SMILESCN(C=O)C(N)N
InChIInChI=1S/C3H9N3O/c1-6(2-7)3(4)5/h2-3H,4-5H2,1H3
InChIKeyFIGXONMBKCQIFX-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.72
Rot. Bonds2

About N-(diaminomethyl)-N-methylformamide

N-(diaminomethyl)-N-methylformamide (PubChem CID 139709544) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is N-(diaminomethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(diaminomethyl)-N-methylformamide
PubChem CID139709544
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC NameN-(diaminomethyl)-N-methylformamide
SMILESCN(C=O)C(N)N
InChIInChI=1S/C3H9N3O/c1-6(2-7)3(4)5/h2-3H,4-5H2,1H3
InChIKeyFIGXONMBKCQIFX-UHFFFAOYSA-N
XLogP-1.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
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-(diaminomethyl)-N-methylformamide?
The IUPAC name of N-(diaminomethyl)-N-methylformamide (CID 139709544) is N-(diaminomethyl)-N-methylformamide.
What is the SMILES notation for N-(diaminomethyl)-N-methylformamide?
The canonical SMILES for N-(diaminomethyl)-N-methylformamide is CN(C=O)C(N)N.
What is the InChIKey of N-(diaminomethyl)-N-methylformamide?
The InChIKey is FIGXONMBKCQIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-6(2-7)3(4)5/h2-3H,4-5H2,1H3.
What are the key properties of N-(diaminomethyl)-N-methylformamide?
N-(diaminomethyl)-N-methylformamide has a molecular weight of 103.12 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethyl)-N-methylformamide is sourced from PubChem (CID 139709544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).