4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide

C12H22N2O — CID 79207896

IUPAC4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCCC(NC(=O)C1C=CC(N)C1)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-11(8(2)3)14-12(15)9-5-6-10(13)7-9/h5-6,8-11H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyOZPNHGWVFKOCEJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79207896) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79207896
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide
SMILESCCC(NC(=O)C1C=CC(N)C1)C(C)C
InChIInChI=1S/C12H22N2O/c1-4-11(8(2)3)14-12(15)9-5-6-10(13)7-9/h5-6,8-11H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyOZPNHGWVFKOCEJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-pentan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211383
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-[(1S)-1-cyclopentylethyl]cyclopent-2-ene-1-carboxamide
CID 81390649
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-3-methoxypropanoic acid
CID 81078810
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
CID 79211583
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide (CID 79207896) is 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide is CCC(NC(=O)C1C=CC(N)C1)C(C)C.
What is the InChIKey of 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is OZPNHGWVFKOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(8(2)3)14-12(15)9-5-6-10(13)7-9/h5-6,8-11H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpentan-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).