(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone

C23H34N2O — CID 120991998

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1(CCc2ccccc2)CCN(C(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C23H34N2O/c1-23(11-10-17-6-3-2-4-7-17)12-13-25(16-23)22(26)20-14-18-8-5-9-19(15-20)21(18)24/h2-4,6-7,18-21H,5,8-16,24H2,1H3
InChIKeyGKDZVCJWWVWCKW-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.01
Rot. Bonds4

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone

(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 120991998) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID120991998
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCC1(CCc2ccccc2)CCN(C(=O)C2CC3CCCC(C2)C3N)C1
InChIInChI=1S/C23H34N2O/c1-23(11-10-17-6-3-2-4-7-17)12-13-25(16-23)22(26)20-14-18-8-5-9-19(15-20)21(18)24/h2-4,6-7,18-21H,5,8-16,24H2,1H3
InChIKeyGKDZVCJWWVWCKW-UHFFFAOYSA-N
XLogP4.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120989837
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119811853
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 120991998) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone is CC1(CCc2ccccc2)CCN(C(=O)C2CC3CCCC(C2)C3N)C1.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GKDZVCJWWVWCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-23(11-10-17-6-3-2-4-7-17)12-13-25(16-23)22(26)20-14-18-8-5-9-19(15-20)21(18)24/h2-4,6-7,18-21H,5,8-16,24H2,1H3.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 354.54 g/mol, XLogP of 4.01, 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)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120991998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).