N-tert-butyl-4-methylpentanamide

C10H21NO — CID 58689125

IUPACN-tert-butyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-7-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyHRGPNJPCNBWBKN-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds3

About N-tert-butyl-4-methylpentanamide

N-tert-butyl-4-methylpentanamide (PubChem CID 58689125) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-tert-butyl-4-methylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-4-methylpentanamide
PubChem CID58689125
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-tert-butyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)(C)C
InChIInChI=1S/C10H21NO/c1-8(2)6-7-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyHRGPNJPCNBWBKN-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methylpentanamide?
The IUPAC name of N-tert-butyl-4-methylpentanamide (CID 58689125) is N-tert-butyl-4-methylpentanamide.
What is the SMILES notation for N-tert-butyl-4-methylpentanamide?
The canonical SMILES for N-tert-butyl-4-methylpentanamide is CC(C)CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methylpentanamide?
The InChIKey is HRGPNJPCNBWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-7-9(12)11-10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-tert-butyl-4-methylpentanamide?
N-tert-butyl-4-methylpentanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methylpentanamide is sourced from PubChem (CID 58689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).