N,2-dimethylpentanediamide;ethane

C9H20N2O2 — CID 145111022

IUPACN,2-dimethylpentanediamide;ethane
SMILESCC.CNC(=O)C(C)CCC(N)=O
InChIInChI=1S/C7H14N2O2.C2H6/c1-5(7(11)9-2)3-4-6(8)10;1-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11);1-2H3
InChIKeyYAQFJMPDUUHVGC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.66
Rot. Bonds4

About N,2-dimethylpentanediamide;ethane

N,2-dimethylpentanediamide;ethane (PubChem CID 145111022) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N,2-dimethylpentanediamide;ethane.

Molecular Properties

Compound NameN,2-dimethylpentanediamide;ethane
PubChem CID145111022
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN,2-dimethylpentanediamide;ethane
SMILESCC.CNC(=O)C(C)CCC(N)=O
InChIInChI=1S/C7H14N2O2.C2H6/c1-5(7(11)9-2)3-4-6(8)10;1-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11);1-2H3
InChIKeyYAQFJMPDUUHVGC-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(methylamino)-5-oxopentanoyl fluoride
CID 20695613
2-methylpentanediamide
CID 19688970
(2R)-2-methylpentanediamide
CID 90202517
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
N,2,5-trimethylhexanamide
CID 78065622
methyl (4S)-4-methyl-5-(methylamino)-5-oxopentanoate;propane
CID 145216603
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
N',2-dimethylpentanediamide
CID 21268064
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
CID 142184881

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpentanediamide;ethane?
The IUPAC name of N,2-dimethylpentanediamide;ethane (CID 145111022) is N,2-dimethylpentanediamide;ethane.
What is the SMILES notation for N,2-dimethylpentanediamide;ethane?
The canonical SMILES for N,2-dimethylpentanediamide;ethane is CC.CNC(=O)C(C)CCC(N)=O.
What is the InChIKey of N,2-dimethylpentanediamide;ethane?
The InChIKey is YAQFJMPDUUHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2H6/c1-5(7(11)9-2)3-4-6(8)10;1-2/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11);1-2H3.
What are the key properties of N,2-dimethylpentanediamide;ethane?
N,2-dimethylpentanediamide;ethane has a molecular weight of 188.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpentanediamide;ethane is sourced from PubChem (CID 145111022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).