N-(ethyliminomethyl)-N'-methylmethanimidamide

C5H11N3 — CID 90250600

IUPACN-(ethyliminomethyl)-N'-methylmethanimidamide
SMILESCC/N=C/N/C=N/C
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h4-5H,3H2,1-2H3,(H,6,7,8)
InChIKeyRVNJOMZKLAMOLD-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.28
Rot. Bonds3

About N-(ethyliminomethyl)-N'-methylmethanimidamide

N-(ethyliminomethyl)-N'-methylmethanimidamide (PubChem CID 90250600) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-(ethyliminomethyl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(ethyliminomethyl)-N'-methylmethanimidamide
PubChem CID90250600
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-(ethyliminomethyl)-N'-methylmethanimidamide
SMILESCC/N=C/N/C=N/C
InChIInChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h4-5H,3H2,1-2H3,(H,6,7,8)
InChIKeyRVNJOMZKLAMOLD-UHFFFAOYSA-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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Related Compounds

bis-N-ethylformamidine
CID 3350062
4-Methyl-1,4-dihydro-1,3,5-triazine
CID 10534622
4-Tert-butyl-1,4-dihydro-1,3,5-triazine
CID 10749255
N'-ethylmethanimidamide
CID 19782017
N'-propylmethanimidamide
CID 19782023
N-Cyano-N'-ethylmethanimidamide
CID 21254806
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N,N'-diethylmethanediimine;N-methylmethanamine
CID 22493457
Ethyl(ethylaminomethylidene)azanium
CID 22978932
4,4-dimethyl-1H-1,3,5-triazine
CID 53745195
N-ethyl-N'-methylmethanimidamide
CID 54361400
1,2-Dimethylguanidine;ethane
CID 54378223

Frequently Asked Questions

What is the IUPAC name of N-(ethyliminomethyl)-N'-methylmethanimidamide?
The IUPAC name of N-(ethyliminomethyl)-N'-methylmethanimidamide (CID 90250600) is N-(ethyliminomethyl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(ethyliminomethyl)-N'-methylmethanimidamide?
The canonical SMILES for N-(ethyliminomethyl)-N'-methylmethanimidamide is CC/N=C/N/C=N/C.
What is the InChIKey of N-(ethyliminomethyl)-N'-methylmethanimidamide?
The InChIKey is RVNJOMZKLAMOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3-7-5-8-4-6-2/h4-5H,3H2,1-2H3,(H,6,7,8).
What are the key properties of N-(ethyliminomethyl)-N'-methylmethanimidamide?
N-(ethyliminomethyl)-N'-methylmethanimidamide 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-(ethyliminomethyl)-N'-methylmethanimidamide is sourced from PubChem (CID 90250600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).