N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide

C18H28N2O — CID 79209293

IUPACN-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1C=CC(N)C1
InChIInChI=1S/C18H28N2O/c1-20(17(21)15-2-3-16(19)7-15)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,12-16H,4-11,19H2,1H3
InChIKeySZLADAWOOYJZCB-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.56
Rot. Bonds3

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

N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79209293) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79209293
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1C=CC(N)C1
InChIInChI=1S/C18H28N2O/c1-20(17(21)15-2-3-16(19)7-15)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,12-16H,4-11,19H2,1H3
InChIKeySZLADAWOOYJZCB-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.56
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-(2,2-dimethylpropyl)-N-methylcyclopent-2-ene-1-carboxamide
CID 79207800
4-amino-N-methyl-N-(2-methylsulfanylethyl)cyclopent-2-ene-1-carboxamide
CID 112658919
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-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210408
4-[[(4-aminocyclopent-2-ene-1-carbonyl)-methylamino]methyl]benzamide
CID 79210320
N-(1-adamantylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 60711839
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
N-(1-adamantylmethyl)-N-methylbutanamide
CID 60682666
N-(1-adamantylmethyl)-2-amino-N-methylbutanamide
CID 54870796
ethyl 4-[1-adamantylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 47013745

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide (CID 79209293) is N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1C=CC(N)C1.
What is the InChIKey of N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is SZLADAWOOYJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(17(21)15-2-3-16(19)7-15)11-18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,12-16H,4-11,19H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide?
N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-amino-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79209293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).