(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride

C19H29ClN2O — CID 75495859

IUPAC(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(C)c1ccc(C2(C(=O)N3CCC(N)C3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)19(10-3-4-11-19)18(22)21-12-9-17(20)13-21;/h5-8,14,17H,3-4,9-13,20H2,1-2H3;1H
InChIKeySONABUYHJJVVMN-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.60
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride (PubChem CID 75495859) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
PubChem CID75495859
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
SMILESCC(C)c1ccc(C2(C(=O)N3CCC(N)C3)CCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)19(10-3-4-11-19)18(22)21-12-9-17(20)13-21;/h5-8,14,17H,3-4,9-13,20H2,1-2H3;1H
InChIKeySONABUYHJJVVMN-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride
CID 119486719
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride (CID 75495859) is (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride is CC(C)c1ccc(C2(C(=O)N3CCC(N)C3)CCCC2)cc1.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
The InChIKey is SONABUYHJJVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-14(2)15-5-7-16(8-6-15)19(10-3-4-11-19)18(22)21-12-9-17(20)13-21;/h5-8,14,17H,3-4,9-13,20H2,1-2H3;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-(4-propan-2-ylphenyl)cyclopentyl]methanone;hydrochloride is sourced from PubChem (CID 75495859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).