N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide

C15H28N2O — CID 102779740

IUPACN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3
InChIKeyONOIKRJLIGFZRW-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide

N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 102779740) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID102779740
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3
InChIKeyONOIKRJLIGFZRW-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide (CID 102779740) is N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ONOIKRJLIGFZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-7-10-16-13(11)14(18)17(4)12-5-8-15(2,3)9-6-12/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide?
N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).