2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide

C16H29N3O — CID 79314341

IUPAC2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C16H29N3O/c1-5-9-16(13-17,10-6-2)15(20)19(4)12-14-8-7-11-18(14)3/h14H,5-12H2,1-4H3
InChIKeyQEUJKGZCMGENGE-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.65
Rot. Bonds7

About 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide

2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide (PubChem CID 79314341) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide
PubChem CID79314341
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C16H29N3O/c1-5-9-16(13-17,10-6-2)15(20)19(4)12-14-8-7-11-18(14)3/h14H,5-12H2,1-4H3
InChIKeyQEUJKGZCMGENGE-UHFFFAOYSA-N
XLogP2.65
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide
CID 63234286
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2-(tert-butylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314656
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 79314315
2-hydroxy-1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 79312719
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821
2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
CID 62480631

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide (CID 79314341) is 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)N(C)CC1CCCN1C.
What is the InChIKey of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide?
The InChIKey is QEUJKGZCMGENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-9-16(13-17,10-6-2)15(20)19(4)12-14-8-7-11-18(14)3/h14H,5-12H2,1-4H3.
What are the key properties of 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide?
2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide has a molecular weight of 279.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 79314341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).