7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride

C20H33ClN2O — CID 119811815

IUPAC7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
SMILESCC1(CCc2ccccc2)CCN(C(=O)CCCCCCN)C1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-20(13-12-18-9-5-4-6-10-18)14-16-22(17-20)19(23)11-7-2-3-8-15-21;/h4-6,9-10H,2-3,7-8,11-17,21H2,1H3;1H
InChIKeyUPCHEHXMEVRKND-UHFFFAOYSA-N
MW352.95 g/mol
LogP4.19
Rot. Bonds9

About 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride

7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride (PubChem CID 119811815) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
PubChem CID119811815
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC Name7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
SMILESCC1(CCc2ccccc2)CCN(C(=O)CCCCCCN)C1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-20(13-12-18-9-5-4-6-10-18)14-16-22(17-20)19(23)11-7-2-3-8-15-21;/h4-6,9-10H,2-3,7-8,11-17,21H2,1H3;1H
InChIKeyUPCHEHXMEVRKND-UHFFFAOYSA-N
XLogP4.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
2-(cyclopropylmethylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811839
1-[(3R)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96534653
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone;hydrochloride
CID 120806566
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-5-phenylpentan-1-one
CID 95720649
2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119811853
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120795669

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride (CID 119811815) is 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride is CC1(CCc2ccccc2)CCN(C(=O)CCCCCCN)C1.Cl.
What is the InChIKey of 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride?
The InChIKey is UPCHEHXMEVRKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-20(13-12-18-9-5-4-6-10-18)14-16-22(17-20)19(23)11-7-2-3-8-15-21;/h4-6,9-10H,2-3,7-8,11-17,21H2,1H3;1H.
What are the key properties of 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride?
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride is sourced from PubChem (CID 119811815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).