3-amino-N-hex-5-ynylcyclopentane-1-carboxamide

C12H20N2O — CID 106212981

IUPAC3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
SMILESC#CCCCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-8-14-12(15)10-6-7-11(13)9-10/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyYRUDPFHVIMNEDN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide

3-amino-N-hex-5-ynylcyclopentane-1-carboxamide (PubChem CID 106212981) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
PubChem CID106212981
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
SMILESC#CCCCCNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-8-14-12(15)10-6-7-11(13)9-10/h1,10-11H,3-9,13H2,(H,14,15)
InChIKeyYRUDPFHVIMNEDN-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
3-amino-N-hex-5-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 114158982
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852751
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide (CID 106212981) is 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide is C#CCCCCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide?
The InChIKey is YRUDPFHVIMNEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-8-14-12(15)10-6-7-11(13)9-10/h1,10-11H,3-9,13H2,(H,14,15).
What are the key properties of 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide?
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-5-ynylcyclopentane-1-carboxamide is sourced from PubChem (CID 106212981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).