[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

C17H24ClN3 — CID 75509550

IUPAC[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3.ClH/c18-11-17-7-4-9-20(17)14-16-8-10-19(13-16)12-15-5-2-1-3-6-15;/h1-3,5-6,8,10,13,17H,4,7,9,11-12,14,18H2;1H
InChIKeyHQOQJBQBOIYOGN-UHFFFAOYSA-N
MW305.85 g/mol
LogP2.88
Rot. Bonds5

About [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride

[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 75509550) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID75509550
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1ccn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3.ClH/c18-11-17-7-4-9-20(17)14-16-8-10-19(13-16)12-15-5-2-1-3-6-15;/h1-3,5-6,8,10,13,17H,4,7,9,11-12,14,18H2;1H
InChIKeyHQOQJBQBOIYOGN-UHFFFAOYSA-N
XLogP2.88
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130
[1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 81492961
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
[1-[[4-(difluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115524682
2-[(2R)-1-benzylpyrrolidin-2-yl]acetonitrile
CID 124565775

Frequently Asked Questions

What is the IUPAC name of [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 75509550) is [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1Cc1ccn(Cc2ccccc2)c1.
What is the InChIKey of [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is HQOQJBQBOIYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/c18-11-17-7-4-9-20(17)14-16-8-10-19(13-16)12-15-5-2-1-3-6-15;/h1-3,5-6,8,10,13,17H,4,7,9,11-12,14,18H2;1H.
What are the key properties of [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-benzylpyrrol-3-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 75509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).