N-(aminomethyl)-N'-methylmethanimidamide

C3H9N3 — CID 123185735

IUPACN-(aminomethyl)-N'-methylmethanimidamide
SMILESC/N=C/NCN
InChIInChI=1S/C3H9N3/c1-5-3-6-2-4/h3H,2,4H2,1H3,(H,5,6)
InChIKeyCZWHTDYAMKSJAU-UHFFFAOYSA-N
MW87.13 g/mol
LogP-0.85
Rot. Bonds2

About N-(aminomethyl)-N'-methylmethanimidamide

N-(aminomethyl)-N'-methylmethanimidamide (PubChem CID 123185735) 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 CID123185735
Molecular FormulaC3H9N3
Molecular Weight87.13 g/mol
Exact Mass87.08
IUPAC NameN-(aminomethyl)-N'-methylmethanimidamide
SMILESC/N=C/NCN
InChIInChI=1S/C3H9N3/c1-5-3-6-2-4/h3H,2,4H2,1H3,(H,5,6)
InChIKeyCZWHTDYAMKSJAU-UHFFFAOYSA-N
XLogP-0.85
TPSA50.41 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 ≤ 5-0.85
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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Related Compounds

2-(methyliminomethylamino)acetamide
CID 143453568
N'-methyl-N-[2-(methylamino)ethyl]methanimidamide
CID 142151243
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylmethanimidamide
CID 89221528
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
CID 163978449
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232
N'-methyl-N-pentan-3-ylmethanimidamide
CID 146960213
(methyliminomethylamino) N-(2-aminoethyl)carbamate
CID 142470605
N,N'-dimethylmethanimidamide;ethane;(E)-prop-1-en-1-amine
CID 144517772
N-[[[dimethylamino(ethylsulfanyl)methyl]amino]methyl]-N'-methylmethanimidamide
CID 123494037
N-[(E)-3-(methyliminomethylamino)prop-2-enyl]formamide
CID 143252203

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N'-methylmethanimidamide?
The IUPAC name of N-(aminomethyl)-N'-methylmethanimidamide (CID 123185735) is N-(aminomethyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(aminomethyl)-N'-methylmethanimidamide?
The canonical SMILES for N-(aminomethyl)-N'-methylmethanimidamide is C/N=C/NCN.
What is the InChIKey of N-(aminomethyl)-N'-methylmethanimidamide?
The InChIKey is CZWHTDYAMKSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3/c1-5-3-6-2-4/h3H,2,4H2,1H3,(H,5,6).
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 -0.85, 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 123185735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).