2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide

C17H32N2O — CID 82764226

IUPAC2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C17H32N2O/c1-11(2)13-8-7-12(3)10-14(13)19-16(20)17(4)9-5-6-15(17)18/h11-15H,5-10,18H2,1-4H3,(H,19,20)
InChIKeyOZFKOAHXJHCFOH-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide (PubChem CID 82764226) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide
PubChem CID82764226
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide
SMILESCC1CCC(C(C)C)C(NC(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C17H32N2O/c1-11(2)13-8-7-12(3)10-14(13)19-16(20)17(4)9-5-6-15(17)18/h11-15H,5-10,18H2,1-4H3,(H,19,20)
InChIKeyOZFKOAHXJHCFOH-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide (CID 82764226) is 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide is CC1CCC(C(C)C)C(NC(=O)C2(C)CCCC2N)C1.
What is the InChIKey of 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide?
The InChIKey is OZFKOAHXJHCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-11(2)13-8-7-12(3)10-14(13)19-16(20)17(4)9-5-6-15(17)18/h11-15H,5-10,18H2,1-4H3,(H,19,20).
What are the key properties of 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82764226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).