N-butan-2-yl-N-ethylformamide

C7H15NO — CID 18792066

IUPACN-butan-2-yl-N-ethylformamide
SMILESCCC(C)N(C=O)CC
InChIInChI=1S/C7H15NO/c1-4-7(3)8(5-2)6-9/h6-7H,4-5H2,1-3H3
InChIKeyAYWADBHRVJHYNG-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.26
Rot. Bonds4

About N-butan-2-yl-N-ethylformamide

N-butan-2-yl-N-ethylformamide (PubChem CID 18792066) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butan-2-yl-N-ethylformamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethylformamide
PubChem CID18792066
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butan-2-yl-N-ethylformamide
SMILESCCC(C)N(C=O)CC
InChIInChI=1S/C7H15NO/c1-4-7(3)8(5-2)6-9/h6-7H,4-5H2,1-3H3
InChIKeyAYWADBHRVJHYNG-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diethylformamide
CID 12051
N,N-Dipropylformamide
CID 22687
N,N-bis(1-methylethyl)formamide
CID 75912
Methylbutylformamide
CID 14230
N-methyl-N-(propan-2-yl)formamide
CID 14529853
N-isopropyl-N-n-propylformamide
CID 19070657
N-ethyl-N-propan-2-ylformamide
CID 19828862
N-(2-methylpropyl)-N-propan-2-ylformamide
CID 54448264
N-Methyl-N-propylformamide
CID 19070644
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
CID 145203970
N-(2-fluoroethyl)-N-propylformamide
CID 174927054
Formamide, N-butyl-N-(1-methylethyl)-
CID 547377

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethylformamide?
The IUPAC name of N-butan-2-yl-N-ethylformamide (CID 18792066) is N-butan-2-yl-N-ethylformamide.
What is the SMILES notation for N-butan-2-yl-N-ethylformamide?
The canonical SMILES for N-butan-2-yl-N-ethylformamide is CCC(C)N(C=O)CC.
What is the InChIKey of N-butan-2-yl-N-ethylformamide?
The InChIKey is AYWADBHRVJHYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-7(3)8(5-2)6-9/h6-7H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethylformamide?
N-butan-2-yl-N-ethylformamide has a molecular weight of 129.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethylformamide is sourced from PubChem (CID 18792066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).