N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide

C12H20N2O — CID 51092606

IUPACN-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(9-10(2)8-13)12(15)11-6-4-5-7-11/h10-11H,3-7,9H2,1-2H3
InChIKeyJNPKVXHXSGXDEL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide

N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide (PubChem CID 51092606) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
PubChem CID51092606
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
SMILESCCN(CC(C)C#N)C(=O)C1CCCC1
InChIInChI=1S/C12H20N2O/c1-3-14(9-10(2)8-13)12(15)11-6-4-5-7-11/h10-11H,3-7,9H2,1-2H3
InChIKeyJNPKVXHXSGXDEL-UHFFFAOYSA-N
XLogP2.18
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hexanamide, N,N,2-triethyl-
CID 112187
3-(5-Methyl-2-oxoazepan-1-yl)propanenitrile
CID 24789350
3-(5-Tert-butyl-2-oxoazepan-1-yl)propanenitrile
CID 24793506
N,N-di-n-propyl-2-ethylhexanamide
CID 5056847
(3S)-3-methyl-4-[(5R)-5-methyl-2-oxoazepan-1-yl]butanenitrile
CID 24789367
Cyclopentaneacetamide, N,N-diethyl-
CID 10797552
N,N-di(propan-2-yl)cyclopentanecarboxamide
CID 4380323
N,N-bis(2-cyanoethyl)cyclohexanecarboxamide
CID 2956715
N-[(2S)-2-cyanopropyl]-N-ethylcyclopentanecarboxamide
CID 93842957
Cyclopentanecarboxamide, N,N-dibutyl-
CID 533295
Cyclopentanecarboxamide, N,N-dihexyl-
CID 533297
Cyclopentanecarboxamide, N,N-bis(2-ethylhexyl)-
CID 533299

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide (CID 51092606) is N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide is CCN(CC(C)C#N)C(=O)C1CCCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide?
The InChIKey is JNPKVXHXSGXDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(9-10(2)8-13)12(15)11-6-4-5-7-11/h10-11H,3-7,9H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide?
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide is sourced from PubChem (CID 51092606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).