[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone

C16H22N2O — CID 119486293

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
SMILESNCC1CCN(C(=O)C2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O/c17-11-14-6-9-18(12-14)15(19)16(7-8-16)10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2
InChIKeyGCQYFZQSAZZKIP-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.82
Rot. Bonds4

About [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone (PubChem CID 119486293) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
PubChem CID119486293
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
SMILESNCC1CCN(C(=O)C2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H22N2O/c17-11-14-6-9-18(12-14)15(19)16(7-8-16)10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2
InChIKeyGCQYFZQSAZZKIP-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
(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
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
N-[1-[3-(aminomethyl)pyrrolidine-1-carbonyl]cyclopropyl]benzamide;hydrochloride
CID 166176503
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
[(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

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone (CID 119486293) is [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone is NCC1CCN(C(=O)C2(Cc3ccccc3)CC2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone?
The InChIKey is GCQYFZQSAZZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-11-14-6-9-18(12-14)15(19)16(7-8-16)10-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 1.82, 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-benzylcyclopropyl)methanone is sourced from PubChem (CID 119486293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).