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

C23H35ClN2O — CID 120987952

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C23H34N2O.ClH/c1-2-20(16-8-4-3-5-9-16)21-12-7-13-25(21)23(26)19-14-17-10-6-11-18(15-19)22(17)24;/h3-5,8-9,17-22H,2,6-7,10-15,24H2,1H3;1H
InChIKeyYZMISIHTXQISHA-UHFFFAOYSA-N
MW391.00 g/mol
LogP4.75
Rot. Bonds4

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

(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 120987952) has the molecular formula C23H35ClN2O and a molecular weight of 391.00 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID120987952
Molecular FormulaC23H35ClN2O
Molecular Weight391.00 g/mol
Exact Mass390.24
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCC(c1ccccc1)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C23H34N2O.ClH/c1-2-20(16-8-4-3-5-9-16)21-12-7-13-25(21)23(26)19-14-17-10-6-11-18(15-19)22(17)24;/h3-5,8-9,17-22H,2,6-7,10-15,24H2,1H3;1H
InChIKeyYZMISIHTXQISHA-UHFFFAOYSA-N
XLogP4.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.00
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308525
[2-(1-phenylpropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308533
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120987548
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
N-[3-oxo-3-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propyl]acetamide
CID 95592185
3-(2-methoxyethoxy)-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95300829
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethanone
CID 94838289
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
3-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]propanoic acid
CID 124683465

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 120987952) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is CCC(c1ccccc1)C1CCCN1C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is YZMISIHTXQISHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O.ClH/c1-2-20(16-8-4-3-5-9-16)21-12-7-13-25(21)23(26)19-14-17-10-6-11-18(15-19)22(17)24;/h3-5,8-9,17-22H,2,6-7,10-15,24H2,1H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 391.00 g/mol, XLogP of 4.75, 4 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-(1-phenylpropyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120987952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).