N-(aminomethyl)-N-methylmethanimidamide

C3H9N3 — CID 173489214

IUPACN-(aminomethyl)-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CN
InChIInChI=1S/C3H9N3/c1-6(2-4)3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyJOVNVDFOJXQDDJ-DUXPYHPUSA-N
MW87.13 g/mol
LogP-0.56
Rot. Bonds2

About N-(aminomethyl)-N-methylmethanimidamide

N-(aminomethyl)-N-methylmethanimidamide (PubChem CID 173489214) has the molecular formula C3H9N3 and a molecular weight of 87.13 g/mol. Its IUPAC name is N-(aminomethyl)-N-methylmethanimidamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-methylmethanimidamide
PubChem CID173489214
Molecular FormulaC3H9N3
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC NameN-(aminomethyl)-N-methylmethanimidamide
SMILES[H]/N=C/N(C)CN
InChIInChI=1S/C3H9N3/c1-6(2-4)3-5/h2,4H,3,5H2,1H3/b4-2+
InChIKeyJOVNVDFOJXQDDJ-DUXPYHPUSA-N
XLogP-0.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-methylmethanimidamide?
The IUPAC name of N-(aminomethyl)-N-methylmethanimidamide (CID 173489214) is N-(aminomethyl)-N-methylmethanimidamide.
What is the SMILES notation for N-(aminomethyl)-N-methylmethanimidamide?
The canonical SMILES for N-(aminomethyl)-N-methylmethanimidamide is [H]/N=C/N(C)CN.
What is the InChIKey of N-(aminomethyl)-N-methylmethanimidamide?
The InChIKey is JOVNVDFOJXQDDJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H9N3/c1-6(2-4)3-5/h2,4H,3,5H2,1H3/b4-2+.
What are the key properties of N-(aminomethyl)-N-methylmethanimidamide?
N-(aminomethyl)-N-methylmethanimidamide has a molecular weight of 87.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-methylmethanimidamide is sourced from PubChem (CID 173489214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).