N,N-diethyl-3,3-dimethylbutanamide

C10H21NO — CID 4630303

IUPACN,N-diethyl-3,3-dimethylbutanamide
SMILESCCN(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11(7-2)9(12)8-10(3,4)5/h6-8H2,1-5H3
InChIKeyKVTAGHWXBWQDCW-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds3

About N,N-diethyl-3,3-dimethylbutanamide

N,N-diethyl-3,3-dimethylbutanamide (PubChem CID 4630303) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,N-diethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN,N-diethyl-3,3-dimethylbutanamide
PubChem CID4630303
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,N-diethyl-3,3-dimethylbutanamide
SMILESCCN(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11(7-2)9(12)8-10(3,4)5/h6-8H2,1-5H3
InChIKeyKVTAGHWXBWQDCW-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-dimethylbutanamide?
The IUPAC name of N,N-diethyl-3,3-dimethylbutanamide (CID 4630303) is N,N-diethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N,N-diethyl-3,3-dimethylbutanamide?
The canonical SMILES for N,N-diethyl-3,3-dimethylbutanamide is CCN(CC)C(=O)CC(C)(C)C.
What is the InChIKey of N,N-diethyl-3,3-dimethylbutanamide?
The InChIKey is KVTAGHWXBWQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-11(7-2)9(12)8-10(3,4)5/h6-8H2,1-5H3.
What are the key properties of N,N-diethyl-3,3-dimethylbutanamide?
N,N-diethyl-3,3-dimethylbutanamide has a molecular weight of 171.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 4630303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).