(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

C17H31ClN2O — CID 120987548

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-11(2)15-7-4-8-19(15)17(20)14-9-12-5-3-6-13(10-14)16(12)18;/h11-16H,3-10,18H2,1-2H3;1H
InChIKeyVEWMXPABCLLIQJ-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.21
Rot. Bonds2

About (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120987548) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120987548
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C17H30N2O.ClH/c1-11(2)15-7-4-8-19(15)17(20)14-9-12-5-3-6-13(10-14)16(12)18;/h11-16H,3-10,18H2,1-2H3;1H
InChIKeyVEWMXPABCLLIQJ-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120987952
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
CID 120993476
[(1R,2S)-2-nitrooxy-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]cyclopentyl] nitrate
CID 59178167
piperidin-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119326458
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,5-diethylpiperazin-1-yl]ethanone;hydrochloride
CID 120991549
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 120990209
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 120993835
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120987548) is (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is CC(C)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is VEWMXPABCLLIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c1-11(2)15-7-4-8-19(15)17(20)14-9-12-5-3-6-13(10-14)16(12)18;/h11-16H,3-10,18H2,1-2H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).