N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide

C15H28N2O — CID 113353990

IUPACN-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-14(2)9-12(10-15(3,4)11-14)16-13(18)17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyXUNXKEREMZUPIT-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds1

About N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide

N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 113353990) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
PubChem CID113353990
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C15H28N2O/c1-14(2)9-12(10-15(3,4)11-14)16-13(18)17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyXUNXKEREMZUPIT-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide (CID 113353990) is N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide is CC1(C)CC(NC(=O)N2CCCC2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is XUNXKEREMZUPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(2)9-12(10-15(3,4)11-14)16-13(18)17-7-5-6-8-17/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide?
N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113353990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).