N-(diethylaminomethyl)-N-ethylformamide

C8H18N2O — CID 134895068

IUPACN-(diethylaminomethyl)-N-ethylformamide
SMILESCCN(C=O)CN(CC)CC
InChIInChI=1S/C8H18N2O/c1-4-9(5-2)7-10(6-3)8-11/h8H,4-7H2,1-3H3
InChIKeyYXHHPTHBUPYBPR-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.76
Rot. Bonds6

About N-(diethylaminomethyl)-N-ethylformamide

N-(diethylaminomethyl)-N-ethylformamide (PubChem CID 134895068) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-(diethylaminomethyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(diethylaminomethyl)-N-ethylformamide
PubChem CID134895068
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-(diethylaminomethyl)-N-ethylformamide
SMILESCCN(C=O)CN(CC)CC
InChIInChI=1S/C8H18N2O/c1-4-9(5-2)7-10(6-3)8-11/h8H,4-7H2,1-3H3
InChIKeyYXHHPTHBUPYBPR-UHFFFAOYSA-N
XLogP0.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diethylaminomethyl)-N-ethylformamide?
The IUPAC name of N-(diethylaminomethyl)-N-ethylformamide (CID 134895068) is N-(diethylaminomethyl)-N-ethylformamide.
What is the SMILES notation for N-(diethylaminomethyl)-N-ethylformamide?
The canonical SMILES for N-(diethylaminomethyl)-N-ethylformamide is CCN(C=O)CN(CC)CC.
What is the InChIKey of N-(diethylaminomethyl)-N-ethylformamide?
The InChIKey is YXHHPTHBUPYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-9(5-2)7-10(6-3)8-11/h8H,4-7H2,1-3H3.
What are the key properties of N-(diethylaminomethyl)-N-ethylformamide?
N-(diethylaminomethyl)-N-ethylformamide has a molecular weight of 158.25 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminomethyl)-N-ethylformamide is sourced from PubChem (CID 134895068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).