2-(2,2-dimethylpropyl)butanediamide

C9H18N2O2 — CID 88719248

IUPAC2-(2,2-dimethylpropyl)butanediamide
SMILESCC(C)(C)CC(CC(N)=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)5-6(8(11)13)4-7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeyLPZDFZMHVRBVIR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.40
Rot. Bonds4

About 2-(2,2-dimethylpropyl)butanediamide

2-(2,2-dimethylpropyl)butanediamide (PubChem CID 88719248) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)butanediamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)butanediamide
PubChem CID88719248
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(2,2-dimethylpropyl)butanediamide
SMILESCC(C)(C)CC(CC(N)=O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-9(2,3)5-6(8(11)13)4-7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13)
InChIKeyLPZDFZMHVRBVIR-UHFFFAOYSA-N
XLogP0.40
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-acetyl-5,5-dimethylhexanamide
CID 142089595
3-(dimethylaminophosphanyl)-5,5-dimethylhexanamide
CID 142005602
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-(aminomethyl)butanediamide
CID 20502890
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
(2R)-2-tert-butylbutanediamide
CID 22864144
4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
CID 138701587
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
CID 126606226
2-(1-iodoethyl)-4,4-dimethylpentanamide
CID 159720292
(2S)-2-(cyclopropylmethyl)butanediamide
CID 70062337
2-(cyclopropylmethyl)butanediamide
CID 21468650
(3R)-4-amino-3-hydroxy-4-methylpentanamide
CID 809792

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)butanediamide?
The IUPAC name of 2-(2,2-dimethylpropyl)butanediamide (CID 88719248) is 2-(2,2-dimethylpropyl)butanediamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)butanediamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)butanediamide is CC(C)(C)CC(CC(N)=O)C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)butanediamide?
The InChIKey is LPZDFZMHVRBVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)5-6(8(11)13)4-7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)(H2,11,13).
What are the key properties of 2-(2,2-dimethylpropyl)butanediamide?
2-(2,2-dimethylpropyl)butanediamide has a molecular weight of 186.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)butanediamide is sourced from PubChem (CID 88719248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).