2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

C12H21N3O2 — CID 106915450

IUPAC2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCCCC(C#N)C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-10(7-13)12(17)15(4)8-9(2)11(16)14-3/h9-10H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyHRIGKFXVDBLWBI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.77
Rot. Bonds6

About 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (PubChem CID 106915450) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
PubChem CID106915450
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCCCC(C#N)C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-5-6-10(7-13)12(17)15(4)8-9(2)11(16)14-3/h9-10H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyHRIGKFXVDBLWBI-UHFFFAOYSA-N
XLogP0.77
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470838
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
2-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 63210764
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
CID 106917240
2-amino-N-(2-cyanopropyl)-N-methylpentanamide
CID 60963784
2-cyano-N-(2-methoxyethoxy)pentanamide
CID 107857047
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (CID 106915450) is 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is CCCC(C#N)C(=O)N(C)CC(C)C(=O)NC.
What is the InChIKey of 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The InChIKey is HRIGKFXVDBLWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-6-10(7-13)12(17)15(4)8-9(2)11(16)14-3/h9-10H,5-6,8H2,1-4H3,(H,14,16).
What are the key properties of 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 106915450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).