(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride

C13H23ClN2O — CID 86815216

IUPAC(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
SMILESCC1(C)C[C@@H]1C(=O)N1CC2CCC(N)C2C1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-13(2)5-10(13)12(16)15-6-8-3-4-11(14)9(8)7-15;/h8-11H,3-7,14H2,1-2H3;1H/t8?,9?,10-,11?;/m1./s1
InChIKeySAGJEDRLTLHIOC-ICUJZDICSA-N
MW258.79 g/mol
LogP1.65
Rot. Bonds1

About (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride

(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride (PubChem CID 86815216) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
PubChem CID86815216
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride
SMILESCC1(C)C[C@@H]1C(=O)N1CC2CCC(N)C2C1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-13(2)5-10(13)12(16)15-6-8-3-4-11(14)9(8)7-15;/h8-11H,3-7,14H2,1-2H3;1H/t8?,9?,10-,11?;/m1./s1
InChIKeySAGJEDRLTLHIOC-ICUJZDICSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride with MolForge

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Related Compounds

[(3aS,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 124617878
[(3aR,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopentylmethanone
CID 124741239
(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 104872314
1-[(3aR,8aS)-7,7-dimethyl-3,3a,4,6,8,8a-hexahydro-2H-furo[3,2-c]azepin-5-yl]-2-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]ethane-1,2-dione
CID 166269993
(3-amino-5-methylpiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107002279
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(thian-2-yl)methanone
CID 113414698
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107002292
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(1-methylcyclohexyl)methanone
CID 106828108
(2R)-1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-ethoxypropan-1-one
CID 124829082
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484
[(3aS,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 99777594

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride (CID 86815216) is (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride is CC1(C)C[C@@H]1C(=O)N1CC2CCC(N)C2C1.Cl.
What is the InChIKey of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride?
The InChIKey is SAGJEDRLTLHIOC-ICUJZDICSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-13(2)5-10(13)12(16)15-6-8-3-4-11(14)9(8)7-15;/h8-11H,3-7,14H2,1-2H3;1H/t8?,9?,10-,11?;/m1./s1.
What are the key properties of (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride?
(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-[(1S)-2,2-dimethylcyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 86815216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).