N-ethylidene-N'-(methylaminomethyl)methanimidamide

C5H11N3 — CID 148627801

IUPACN-ethylidene-N'-(methylaminomethyl)methanimidamide
SMILESC/C=N/C=NCNC
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,4H2,1-2H3/b7-3+,8-5?
InChIKeyNHNZWQVLZDTNLT-WUKYCTKSSA-N
MW113.16 g/mol
LogP0.28
Rot. Bonds3

About N-ethylidene-N'-(methylaminomethyl)methanimidamide

N-ethylidene-N'-(methylaminomethyl)methanimidamide (PubChem CID 148627801) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-ethylidene-N'-(methylaminomethyl)methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-(methylaminomethyl)methanimidamide
PubChem CID148627801
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-ethylidene-N'-(methylaminomethyl)methanimidamide
SMILESC/C=N/C=NCNC
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,4H2,1-2H3/b7-3+,8-5?
InChIKeyNHNZWQVLZDTNLT-WUKYCTKSSA-N
XLogP0.28
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethylidene-N'-(methylaminomethyl)methanimidamide?
The IUPAC name of N-ethylidene-N'-(methylaminomethyl)methanimidamide (CID 148627801) is N-ethylidene-N'-(methylaminomethyl)methanimidamide.
What is the SMILES notation for N-ethylidene-N'-(methylaminomethyl)methanimidamide?
The canonical SMILES for N-ethylidene-N'-(methylaminomethyl)methanimidamide is C/C=N/C=NCNC.
What is the InChIKey of N-ethylidene-N'-(methylaminomethyl)methanimidamide?
The InChIKey is NHNZWQVLZDTNLT-WUKYCTKSSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h3,5-6H,4H2,1-2H3/b7-3+,8-5?.
What are the key properties of N-ethylidene-N'-(methylaminomethyl)methanimidamide?
N-ethylidene-N'-(methylaminomethyl)methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-(methylaminomethyl)methanimidamide is sourced from PubChem (CID 148627801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).