2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide

C16H29N3O — CID 105417773

IUPAC2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-5-8-15(12-17,9-6-2)14(20)18-13-16(19(3)4)10-7-11-16/h5-11,13H2,1-4H3,(H,18,20)
InChIKeyKZBHABQSJRUVLF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.70
Rot. Bonds8

About 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide

2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide (PubChem CID 105417773) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
PubChem CID105417773
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-5-8-15(12-17,9-6-2)14(20)18-13-16(19(3)4)10-7-11-16/h5-11,13H2,1-4H3,(H,18,20)
InChIKeyKZBHABQSJRUVLF-UHFFFAOYSA-N
XLogP2.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-propylpentanamide
CID 115360372
2-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105418004
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,2-dimethylpropanamide
CID 105420633
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
N-[[1-(dimethylamino)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 155951770
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-cyano-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 78996361
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
2-cyano-N-[2-(cyclopenten-1-yl)ethyl]-2-propylpentanamide
CID 106173529
2-cyano-N-(2,2-dimethylcyclopentyl)-2-propylpentanamide
CID 79878649

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide (CID 105417773) is 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide?
The InChIKey is KZBHABQSJRUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-8-15(12-17,9-6-2)14(20)18-13-16(19(3)4)10-7-11-16/h5-11,13H2,1-4H3,(H,18,20).
What are the key properties of 2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide?
2-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide has a molecular weight of 279.43 g/mol, XLogP of 2.70, 8 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)cyclobutyl]methyl]-2-propylpentanamide is sourced from PubChem (CID 105417773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).