[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride

C17H25ClN2O — CID 119486862

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-12-15-7-10-19(13-15)16(20)17(8-4-9-17)11-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13,18H2;1H
InChIKeyHNNYABLSZGRXRV-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.63
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride (PubChem CID 119486862) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
PubChem CID119486862
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1
InChIInChI=1S/C17H24N2O.ClH/c18-12-15-7-10-19(13-15)16(20)17(8-4-9-17)11-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13,18H2;1H
InChIKeyHNNYABLSZGRXRV-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71854094
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 120742867
N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176503
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
[(3R)-3-aminopyrrolidin-1-yl]-[1-[(3-chlorophenyl)methyl]cyclopentyl]methanone
CID 119411301
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride (CID 119486862) is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)C2(Cc3ccccc3)CCC2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride?
The InChIKey is HNNYABLSZGRXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-12-15-7-10-19(13-15)16(20)17(8-4-9-17)11-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13,18H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 119486862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).