4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide

C12H22N2O — CID 79207800

IUPAC4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CC(C)(C)C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)8-14(4)11(15)9-5-6-10(13)7-9/h5-6,9-10H,7-8,13H2,1-4H3
InChIKeyBFMHWYPKLGEYSD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds2

About 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79207800) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79207800
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CC(C)(C)C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C12H22N2O/c1-12(2,3)8-14(4)11(15)9-5-6-10(13)7-9/h5-6,9-10H,7-8,13H2,1-4H3
InChIKeyBFMHWYPKLGEYSD-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
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-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
4-[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]butanoic acid
CID 79207976
N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide
CID 79209293
4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210568
4-amino-N-methyl-N-(oxan-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79207915
4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
CID 79210320
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210408
4-amino-N-ethyl-N-propan-2-ylcyclopent-2-ene-1-carboxamide
CID 79211082
4-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79210443
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide (CID 79207800) is 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide is CN(CC(C)(C)C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is BFMHWYPKLGEYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,3)8-14(4)11(15)9-5-6-10(13)7-9/h5-6,9-10H,7-8,13H2,1-4H3.
What are the key properties of 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79207800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).