N-(2-cyanocyclopentyl)-4-(methylamino)butanamide

C11H19N3O — CID 62961468

IUPACN-(2-cyanocyclopentyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCCC1C#N
InChIInChI=1S/C11H19N3O/c1-13-7-3-6-11(15)14-10-5-2-4-9(10)8-12/h9-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyPWSKDAZDKOPOBX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.79
Rot. Bonds5

About N-(2-cyanocyclopentyl)-4-(methylamino)butanamide

N-(2-cyanocyclopentyl)-4-(methylamino)butanamide (PubChem CID 62961468) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-(methylamino)butanamide
PubChem CID62961468
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-cyanocyclopentyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC1CCCC1C#N
InChIInChI=1S/C11H19N3O/c1-13-7-3-6-11(15)14-10-5-2-4-9(10)8-12/h9-10,13H,2-7H2,1H3,(H,14,15)
InChIKeyPWSKDAZDKOPOBX-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
6-amino-N-(2-cyanocyclopentyl)-4,4-dimethylhexanamide
CID 65291034
3-amino-N-(2-cyanocyclopentyl)-3-methylbutanamide
CID 64679356
N-(2-cyanocyclopentyl)-2-cyclopentylacetamide
CID 62961621
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
N-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822199
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-(methylamino)butanamide (CID 62961468) is N-(2-cyanocyclopentyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-(methylamino)butanamide is CNCCCC(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-(methylamino)butanamide?
The InChIKey is PWSKDAZDKOPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-7-3-6-11(15)14-10-5-2-4-9(10)8-12/h9-10,13H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-4-(methylamino)butanamide?
N-(2-cyanocyclopentyl)-4-(methylamino)butanamide has a molecular weight of 209.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-4-(methylamino)butanamide is sourced from PubChem (CID 62961468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).