N-(2-aminobutyl)-N-ethylformamide

C7H16N2O — CID 165400260

IUPACN-(2-aminobutyl)-N-ethylformamide
SMILESCCC(N)CN(C=O)CC
InChIInChI=1S/C7H16N2O/c1-3-7(8)5-9(4-2)6-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKBJLJDWGIORHFK-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.20
Rot. Bonds5

About N-(2-aminobutyl)-N-ethylformamide

N-(2-aminobutyl)-N-ethylformamide (PubChem CID 165400260) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-(2-aminobutyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-N-ethylformamide
PubChem CID165400260
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-(2-aminobutyl)-N-ethylformamide
SMILESCCC(N)CN(C=O)CC
InChIInChI=1S/C7H16N2O/c1-3-7(8)5-9(4-2)6-10/h6-7H,3-5,8H2,1-2H3
InChIKeyKBJLJDWGIORHFK-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-N-ethylformamide?
The IUPAC name of N-(2-aminobutyl)-N-ethylformamide (CID 165400260) is N-(2-aminobutyl)-N-ethylformamide.
What is the SMILES notation for N-(2-aminobutyl)-N-ethylformamide?
The canonical SMILES for N-(2-aminobutyl)-N-ethylformamide is CCC(N)CN(C=O)CC.
What is the InChIKey of N-(2-aminobutyl)-N-ethylformamide?
The InChIKey is KBJLJDWGIORHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-3-7(8)5-9(4-2)6-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of N-(2-aminobutyl)-N-ethylformamide?
N-(2-aminobutyl)-N-ethylformamide has a molecular weight of 144.22 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-N-ethylformamide is sourced from PubChem (CID 165400260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).