2-methylpentanediamide

C6H12N2O2 — CID 19688970

IUPAC2-methylpentanediamide
SMILESCC(CCC(N)=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(8)10)2-3-5(7)9/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyMFXUHBWEUJSJAU-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.63
Rot. Bonds4

About 2-methylpentanediamide

2-methylpentanediamide (PubChem CID 19688970) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-methylpentanediamide.

Molecular Properties

Compound Name2-methylpentanediamide
PubChem CID19688970
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-methylpentanediamide
SMILESCC(CCC(N)=O)C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(8)10)2-3-5(7)9/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyMFXUHBWEUJSJAU-UHFFFAOYSA-N
XLogP-0.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methylpentanediamide
CID 90202517
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
4-bromo-2-methylbutanamide
CID 57350656
N',2-dimethylpentanediamide
CID 21268064
(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
(2S)-4-amino-2-methylbutanamide
CID 87412339
N,2-dimethylpentanediamide;ethane
CID 145111022
5-amino-2-methylhexanamide
CID 71433088
(4S)-4-amino-5-methylhexanamide
CID 90463437
2-methylhexanamide
CID 2828737
2-hydroxypentanediamide
CID 559184

Frequently Asked Questions

What is the IUPAC name of 2-methylpentanediamide?
The IUPAC name of 2-methylpentanediamide (CID 19688970) is 2-methylpentanediamide.
What is the SMILES notation for 2-methylpentanediamide?
The canonical SMILES for 2-methylpentanediamide is CC(CCC(N)=O)C(N)=O.
What is the InChIKey of 2-methylpentanediamide?
The InChIKey is MFXUHBWEUJSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(6(8)10)2-3-5(7)9/h4H,2-3H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-methylpentanediamide?
2-methylpentanediamide has a molecular weight of 144.17 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentanediamide is sourced from PubChem (CID 19688970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).