N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C16H28N2O — CID 102892716

IUPACN-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C16H28N2O/c1-11-5-3-7-13(9-11)18(2)16(19)15-14-8-4-6-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyLEGYCMIAIDIIPQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds2

About N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102892716) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102892716
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC1CCCC(N(C)C(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C16H28N2O/c1-11-5-3-7-13(9-11)18(2)16(19)15-14-8-4-6-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyLEGYCMIAIDIIPQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890692
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890568
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 61447107
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
CID 102892216
N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891722
N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893149
N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide;hydrochloride
CID 119285985
N-(4-methoxyphenyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892885

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102892716) is N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC1CCCC(N(C)C(=O)C2NCC3CCCC32)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is LEGYCMIAIDIIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-5-3-7-13(9-11)18(2)16(19)15-14-8-4-6-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 264.41 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-methyl-N-(3-methylcyclohexyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102892716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).