3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide

C8H13N3O — CID 66009213

IUPAC3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
SMILESN#CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C8H13N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h6-7H,1-2,4-5,10H2,(H,11,12)
InChIKeyAACHVTJYBCHSLS-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.25
Rot. Bonds2

About 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide

3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide (PubChem CID 66009213) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
PubChem CID66009213
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
SMILESN#CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C8H13N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h6-7H,1-2,4-5,10H2,(H,11,12)
InChIKeyAACHVTJYBCHSLS-UHFFFAOYSA-N
XLogP-0.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 130747164
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
CID 119789350
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115739203

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide (CID 66009213) is 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide is N#CCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide?
The InChIKey is AACHVTJYBCHSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-4-11-8(12)6-1-2-7(10)5-6/h6-7H,1-2,4-5,10H2,(H,11,12).
What are the key properties of 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide?
3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).