N-tert-butyl-N-(2-methylpropyl)formamide

C9H19NO — CID 54452563

IUPACN-tert-butyl-N-(2-methylpropyl)formamide
SMILESCC(C)CN(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2)6-10(7-11)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyPAZUXHQRUQFYTJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds3

About N-tert-butyl-N-(2-methylpropyl)formamide

N-tert-butyl-N-(2-methylpropyl)formamide (PubChem CID 54452563) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-tert-butyl-N-(2-methylpropyl)formamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2-methylpropyl)formamide
PubChem CID54452563
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-tert-butyl-N-(2-methylpropyl)formamide
SMILESCC(C)CN(C=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-8(2)6-10(7-11)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyPAZUXHQRUQFYTJ-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
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-tert-butyl-N-(2-methylpropyl)formamide?
The IUPAC name of N-tert-butyl-N-(2-methylpropyl)formamide (CID 54452563) is N-tert-butyl-N-(2-methylpropyl)formamide.
What is the SMILES notation for N-tert-butyl-N-(2-methylpropyl)formamide?
The canonical SMILES for N-tert-butyl-N-(2-methylpropyl)formamide is CC(C)CN(C=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2-methylpropyl)formamide?
The InChIKey is PAZUXHQRUQFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-10(7-11)9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of N-tert-butyl-N-(2-methylpropyl)formamide?
N-tert-butyl-N-(2-methylpropyl)formamide has a molecular weight of 157.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2-methylpropyl)formamide is sourced from PubChem (CID 54452563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).