(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride

C12H23ClN2O — CID 120679187

IUPAC(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)[C@@]12CCC[C@@H]1CNC2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9(2)14(3)11(15)12-6-4-5-10(12)7-13-8-12;/h9-10,13H,4-8H2,1-3H3;1H/t10-,12-;/m1./s1
InChIKeyYLAWHBAWWRGIIK-MHDYBILJSA-N
MW246.78 g/mol
LogP1.66
Rot. Bonds2

About (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride

(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride (PubChem CID 120679187) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride
PubChem CID120679187
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)[C@@]12CCC[C@@H]1CNC2.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9(2)14(3)11(15)12-6-4-5-10(12)7-13-8-12;/h9-10,13H,4-8H2,1-3H3;1H/t10-,12-;/m1./s1
InChIKeyYLAWHBAWWRGIIK-MHDYBILJSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride with MolForge

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Related Compounds

(3aS,6aS)-N,N-diethyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679184
(3aS,6aS)-N-propyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 130610210
2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 128925463
(3aS,6aR)-2-[1-[methyl(propan-2-yl)amino]-1-oxopropan-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680373
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80591437
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 76920249
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
N-methyl-1-(methylaminomethyl)-N-propan-2-ylcyclobutane-1-carboxamide
CID 115183656
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
CID 19833406
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride?
The IUPAC name of (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride (CID 120679187) is (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride.
What is the SMILES notation for (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride?
The canonical SMILES for (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride is CC(C)N(C)C(=O)[C@@]12CCC[C@@H]1CNC2.Cl.
What is the InChIKey of (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride?
The InChIKey is YLAWHBAWWRGIIK-MHDYBILJSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-9(2)14(3)11(15)12-6-4-5-10(12)7-13-8-12;/h9-10,13H,4-8H2,1-3H3;1H/t10-,12-;/m1./s1.
What are the key properties of (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride?
(3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N-methyl-N-propan-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide;hydrochloride is sourced from PubChem (CID 120679187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).