2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide

C12H22N2O2 — CID 106398080

IUPAC2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
SMILESC=CCCOCCNC(=O)C1CCCC1N
InChIInChI=1S/C12H22N2O2/c1-2-3-8-16-9-7-14-12(15)10-5-4-6-11(10)13/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyKDXWJFBBKZRRCE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.82
Rot. Bonds7

About 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide

2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide (PubChem CID 106398080) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
PubChem CID106398080
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
SMILESC=CCCOCCNC(=O)C1CCCC1N
InChIInChI=1S/C12H22N2O2/c1-2-3-8-16-9-7-14-12(15)10-5-4-6-11(10)13/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyKDXWJFBBKZRRCE-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
CID 115738981
2-but-3-enoxyethylurea
CID 103852774
1-(2-but-3-enoxyethyl)-3-cyclopentylurea
CID 103853130
5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide
CID 106398363
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
1-amino-N-(2-but-3-enoxyethyl)cyclopropane-1-carboxamide
CID 103950980
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide (CID 106398080) is 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide is C=CCCOCCNC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is KDXWJFBBKZRRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-8-16-9-7-14-12(15)10-5-4-6-11(10)13/h2,10-11H,1,3-9,13H2,(H,14,15).
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide?
2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106398080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).