3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide

C10H17N3O — CID 66033059

IUPAC3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N3O/c1-13(6-2-5-11)10(14)8-3-4-9(12)7-8/h8-9H,2-4,6-7,12H2,1H3
InChIKeyCQNBXXRTEQAFRO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide

3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide (PubChem CID 66033059) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
PubChem CID66033059
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide
SMILESCN(CCC#N)C(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N3O/c1-13(6-2-5-11)10(14)8-3-4-9(12)7-8/h8-9H,2-4,6-7,12H2,1H3
InChIKeyCQNBXXRTEQAFRO-UHFFFAOYSA-N
XLogP0.49
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
CID 63041805
3-amino-N-methyl-N-propylcyclopentane-1-carboxamide
CID 66031475
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 119798087
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
3-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119686528
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide (CID 66033059) is 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide is CN(CCC#N)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide?
The InChIKey is CQNBXXRTEQAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13(6-2-5-11)10(14)8-3-4-9(12)7-8/h8-9H,2-4,6-7,12H2,1H3.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide?
3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 66033059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).