N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide

C12H19N3O — CID 115903603

IUPACN-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
SMILESN#CC1CCCC1NCCNC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c13-8-10-2-1-3-11(10)14-6-7-15-12(16)9-4-5-9/h9-11,14H,1-7H2,(H,15,16)
InChIKeyXWCIUJAPJZHONK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.79
Rot. Bonds5

About N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115903603) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115903603
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide
SMILESN#CC1CCCC1NCCNC(=O)C1CC1
InChIInChI=1S/C12H19N3O/c13-8-10-2-1-3-11(10)14-6-7-15-12(16)9-4-5-9/h9-11,14H,1-7H2,(H,15,16)
InChIKeyXWCIUJAPJZHONK-UHFFFAOYSA-N
XLogP0.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
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

N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357851
N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
CID 79601921
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
3-[(2-cyanocyclohexyl)amino]-N-methylpropanamide
CID 62742465
3-[(2-cyanocycloheptyl)amino]-N-methylpropanamide
CID 62742466
2-[(2-cyanocyclohexyl)amino]acetamide
CID 62741855
2-(3-hydroxypentylamino)cyclopentane-1-carbonitrile
CID 115903557
2-[(2-cyanocyclopentyl)amino]-N,N-dimethylacetamide
CID 62743396
3-[(2-cyanocycloheptyl)amino]-N-cyclopropylpropanamide
CID 79393765
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide (CID 115903603) is N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide is N#CC1CCCC1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is XWCIUJAPJZHONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-10-2-1-3-11(10)14-6-7-15-12(16)9-4-5-9/h9-11,14H,1-7H2,(H,15,16).
What are the key properties of N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 221.30 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-[(2-cyanocyclopentyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115903603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).