N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide

C8H18N4O — CID 118616872

IUPACN-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide
SMILESCCN(CCNC)/C(=N/C)NC=O
InChIInChI=1S/C8H18N4O/c1-4-12(6-5-9-2)8(10-3)11-7-13/h7,9H,4-6H2,1-3H3,(H,10,11,13)
InChIKeyQRPPQJZRNUJILT-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.74
Rot. Bonds5

About N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide

N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide (PubChem CID 118616872) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide.

Molecular Properties

Compound NameN-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide
PubChem CID118616872
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide
SMILESCCN(CCNC)/C(=N/C)NC=O
InChIInChI=1S/C8H18N4O/c1-4-12(6-5-9-2)8(10-3)11-7-13/h7,9H,4-6H2,1-3H3,(H,10,11,13)
InChIKeyQRPPQJZRNUJILT-UHFFFAOYSA-N
XLogP-0.74
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide?
The IUPAC name of N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide (CID 118616872) is N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide.
What is the SMILES notation for N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide?
The canonical SMILES for N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide is CCN(CCNC)/C(=N/C)NC=O.
What is the InChIKey of N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide?
The InChIKey is QRPPQJZRNUJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-4-12(6-5-9-2)8(10-3)11-7-13/h7,9H,4-6H2,1-3H3,(H,10,11,13).
What are the key properties of N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide?
N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide has a molecular weight of 186.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethyl-N'-methyl-N-[2-(methylamino)ethyl]carbamimidoyl]formamide is sourced from PubChem (CID 118616872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).