N-(2,3-dimethylbutyl)-N-ethylformamide

C9H19NO — CID 54232262

IUPACN-(2,3-dimethylbutyl)-N-ethylformamide
SMILESCCN(C=O)CC(C)C(C)C
InChIInChI=1S/C9H19NO/c1-5-10(7-11)6-9(4)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyLAVKWYQASKUDAS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.76
Rot. Bonds5

About N-(2,3-dimethylbutyl)-N-ethylformamide

N-(2,3-dimethylbutyl)-N-ethylformamide (PubChem CID 54232262) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-N-ethylformamide
PubChem CID54232262
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2,3-dimethylbutyl)-N-ethylformamide
SMILESCCN(C=O)CC(C)C(C)C
InChIInChI=1S/C9H19NO/c1-5-10(7-11)6-9(4)8(2)3/h7-9H,5-6H2,1-4H3
InChIKeyLAVKWYQASKUDAS-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,3-dimethylbutyl)-N-ethylformamide?
The IUPAC name of N-(2,3-dimethylbutyl)-N-ethylformamide (CID 54232262) is N-(2,3-dimethylbutyl)-N-ethylformamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-N-ethylformamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-N-ethylformamide is CCN(C=O)CC(C)C(C)C.
What is the InChIKey of N-(2,3-dimethylbutyl)-N-ethylformamide?
The InChIKey is LAVKWYQASKUDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10(7-11)6-9(4)8(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(2,3-dimethylbutyl)-N-ethylformamide?
N-(2,3-dimethylbutyl)-N-ethylformamide has a molecular weight of 157.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-N-ethylformamide is sourced from PubChem (CID 54232262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).