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

C16H28N2O — CID 102891689

IUPACN-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(C)CCN(C(=O)C1NCC2CCCC21)C1CC1
InChIInChI=1S/C16H28N2O/c1-11(2)8-9-18(13-6-7-13)16(19)15-14-5-3-4-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyUZESETHHZBSKJH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds5

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

N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891689) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891689
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(C)CCN(C(=O)C1NCC2CCCC21)C1CC1
InChIInChI=1S/C16H28N2O/c1-11(2)8-9-18(13-6-7-13)16(19)15-14-5-3-4-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3
InChIKeyUZESETHHZBSKJH-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891689) is N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC(C)CCN(C(=O)C1NCC2CCCC21)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is UZESETHHZBSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11(2)8-9-18(13-6-7-13)16(19)15-14-5-3-4-12(14)10-17-15/h11-15,17H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-cyclopropyl-N-(3-methylbutyl)-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, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).