N-ethyl-N-(2-methylpentan-2-yl)formamide

C9H19NO — CID 54398626

IUPACN-ethyl-N-(2-methylpentan-2-yl)formamide
SMILESCCCC(C)(C)N(C=O)CC
InChIInChI=1S/C9H19NO/c1-5-7-9(3,4)10(6-2)8-11/h8H,5-7H2,1-4H3
InChIKeyPYFWUYPYAJSSTN-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-(2-methylpentan-2-yl)formamide

N-ethyl-N-(2-methylpentan-2-yl)formamide (PubChem CID 54398626) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpentan-2-yl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpentan-2-yl)formamide
PubChem CID54398626
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-(2-methylpentan-2-yl)formamide
SMILESCCCC(C)(C)N(C=O)CC
InChIInChI=1S/C9H19NO/c1-5-7-9(3,4)10(6-2)8-11/h8H,5-7H2,1-4H3
InChIKeyPYFWUYPYAJSSTN-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-ethyl-N-(2-methylpentan-2-yl)formamide?
The IUPAC name of N-ethyl-N-(2-methylpentan-2-yl)formamide (CID 54398626) is N-ethyl-N-(2-methylpentan-2-yl)formamide.
What is the SMILES notation for N-ethyl-N-(2-methylpentan-2-yl)formamide?
The canonical SMILES for N-ethyl-N-(2-methylpentan-2-yl)formamide is CCCC(C)(C)N(C=O)CC.
What is the InChIKey of N-ethyl-N-(2-methylpentan-2-yl)formamide?
The InChIKey is PYFWUYPYAJSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-9(3,4)10(6-2)8-11/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylpentan-2-yl)formamide?
N-ethyl-N-(2-methylpentan-2-yl)formamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpentan-2-yl)formamide is sourced from PubChem (CID 54398626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).