N'-(cyanomethyl)-N,N-dimethylmethanimidamide

C5H9N3 — CID 6432065

IUPACN'-(cyanomethyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CC#N
InChIInChI=1S/C5H9N3/c1-8(2)5-7-4-3-6/h5H,4H2,1-2H3/b7-5+
InChIKeyNWYJIMZYZKAACO-FNORWQNLSA-N
MW111.15 g/mol
LogP0.10
Rot. Bonds2

About N'-(cyanomethyl)-N,N-dimethylmethanimidamide

N'-(cyanomethyl)-N,N-dimethylmethanimidamide (PubChem CID 6432065) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-(cyanomethyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(cyanomethyl)-N,N-dimethylmethanimidamide
PubChem CID6432065
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-(cyanomethyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/CC#N
InChIInChI=1S/C5H9N3/c1-8(2)5-7-4-3-6/h5H,4H2,1-2H3/b7-5+
InChIKeyNWYJIMZYZKAACO-FNORWQNLSA-N
XLogP0.10
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', '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'-(cyanomethyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(cyanomethyl)-N,N-dimethylmethanimidamide (CID 6432065) is N'-(cyanomethyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(cyanomethyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(cyanomethyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/CC#N.
What is the InChIKey of N'-(cyanomethyl)-N,N-dimethylmethanimidamide?
The InChIKey is NWYJIMZYZKAACO-FNORWQNLSA-N. The full InChI is InChI=1S/C5H9N3/c1-8(2)5-7-4-3-6/h5H,4H2,1-2H3/b7-5+.
What are the key properties of N'-(cyanomethyl)-N,N-dimethylmethanimidamide?
N'-(cyanomethyl)-N,N-dimethylmethanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyanomethyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 6432065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).