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

C10H17N3O — CID 66009224

IUPAC3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
SMILESN#CCCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N3O/c11-5-1-2-6-13-10(14)8-3-4-9(12)7-8/h8-9H,1-4,6-7,12H2,(H,13,14)
InChIKeySMPSZMVXYLWOLF-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds4

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

3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide (PubChem CID 66009224) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
PubChem CID66009224
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
SMILESN#CCCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N3O/c11-5-1-2-6-13-10(14)8-3-4-9(12)7-8/h8-9H,1-4,6-7,12H2,(H,13,14)
InChIKeySMPSZMVXYLWOLF-UHFFFAOYSA-N
XLogP0.53
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
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

3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
CID 66009213
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
N-(3-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64904761
3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
CID 10012974
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide (CID 66009224) is 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide is N#CCCCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide?
The InChIKey is SMPSZMVXYLWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-1-2-6-13-10(14)8-3-4-9(12)7-8/h8-9H,1-4,6-7,12H2,(H,13,14).
What are the key properties of 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide?
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66009224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).