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

C18H33ClN2O — CID 120991436

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-12(2)8-13-6-7-20(11-13)18(21)16-9-14-4-3-5-15(10-16)17(14)19;/h12-17H,3-11,19H2,1-2H3;1H
InChIKeyGLSSMCHNNCJSKH-UHFFFAOYSA-N
MW328.93 g/mol
LogP3.46
Rot. Bonds3

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

(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120991436) has the molecular formula C18H33ClN2O and a molecular weight of 328.93 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120991436
Molecular FormulaC18H33ClN2O
Molecular Weight328.93 g/mol
Exact Mass328.23
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCC(C)CC1CCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl
InChIInChI=1S/C18H32N2O.ClH/c1-12(2)8-13-6-7-20(11-13)18(21)16-9-14-4-3-5-15(10-16)17(14)19;/h12-17H,3-11,19H2,1-2H3;1H
InChIKeyGLSSMCHNNCJSKH-UHFFFAOYSA-N
XLogP3.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
CID 120992451
(9-amino-3-bicyclo[3.3.1]nonanyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 120991765
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride
CID 120992922
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176610704
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 120993071

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 120991436) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is CC(C)CC1CCN(C(=O)C2CC3CCCC(C2)C3N)C1.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is GLSSMCHNNCJSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.ClH/c1-12(2)8-13-6-7-20(11-13)18(21)16-9-14-4-3-5-15(10-16)17(14)19;/h12-17H,3-11,19H2,1-2H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 328.93 g/mol, XLogP of 3.46, 3 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)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).