2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide

C11H21N3O — CID 82938971

IUPAC2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)CN(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-10(7-12)11(15)13-9(2)8-14(3)4/h9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyZESDMBJYWUMJBJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.99
Rot. Bonds6

About 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide

2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide (PubChem CID 82938971) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
PubChem CID82938971
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
SMILESCCCC(C#N)C(=O)NC(C)CN(C)C
InChIInChI=1S/C11H21N3O/c1-5-6-10(7-12)11(15)13-9(2)8-14(3)4/h9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyZESDMBJYWUMJBJ-UHFFFAOYSA-N
XLogP0.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
CID 107860521
2-cyano-N-hexan-2-ylbutanamide
CID 62199313
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
2-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915450
N-[1-(dimethylamino)propan-2-yl]-2,2-difluoroacetamide
CID 103515956
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-cyano-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470838
2-cyano-N-(2-methoxyethoxy)pentanamide
CID 107857047
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide?
The IUPAC name of 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide (CID 82938971) is 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide.
What is the SMILES notation for 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide?
The canonical SMILES for 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide is CCCC(C#N)C(=O)NC(C)CN(C)C.
What is the InChIKey of 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide?
The InChIKey is ZESDMBJYWUMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-6-10(7-12)11(15)13-9(2)8-14(3)4/h9-10H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide?
2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide has a molecular weight of 211.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide is sourced from PubChem (CID 82938971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).