2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide

C11H22N2O2 — CID 108956970

IUPAC2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-12-9(14)11(4,5)10(15)13-8(2)3/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyJYZOATVESYKFGY-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.06
Rot. Bonds5

About 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide

2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide (PubChem CID 108956970) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
PubChem CID108956970
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide
SMILESCCCNC(=O)C(C)(C)C(=O)NC(C)C
InChIInChI=1S/C11H22N2O2/c1-6-7-12-9(14)11(4,5)10(15)13-8(2)3/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyJYZOATVESYKFGY-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2,2-dimethyl-N'-propan-2-yl-N,N-dipropylpropanediamide
CID 108957255
N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957212
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
3-hydroxy-2,2-dimethyl-N-propylpropanamide
CID 58461027
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
2-iodo-N-propylpropanamide
CID 64787589
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide (CID 108956970) is 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide is CCCNC(=O)C(C)(C)C(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide?
The InChIKey is JYZOATVESYKFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-7-12-9(14)11(4,5)10(15)13-8(2)3/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15).
What are the key properties of 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide?
2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-N'-propylpropanediamide is sourced from PubChem (CID 108956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).