1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride

C15H30ClN3 — CID 120899306

IUPAC1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2CN2CCCC2)CCNC1.Cl
InChIInChI=1S/C15H29N3.ClH/c1-15(6-7-16-12-15)13-18-10-4-5-14(18)11-17-8-2-3-9-17;/h14,16H,2-13H2,1H3;1H
InChIKeyUADFKMDYXBDRQD-UHFFFAOYSA-N
MW287.88 g/mol
LogP1.97
Rot. Bonds4

About 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride

1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride (PubChem CID 120899306) has the molecular formula C15H30ClN3 and a molecular weight of 287.88 g/mol. Its IUPAC name is 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
PubChem CID120899306
Molecular FormulaC15H30ClN3
Molecular Weight287.88 g/mol
Exact Mass287.21
IUPAC Name1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
SMILESCC1(CN2CCCC2CN2CCCC2)CCNC1.Cl
InChIInChI=1S/C15H29N3.ClH/c1-15(6-7-16-12-15)13-18-10-4-5-14(18)11-17-8-2-3-9-17;/h14,16H,2-13H2,1H3;1H
InChIKeyUADFKMDYXBDRQD-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]azepane;hydrochloride
CID 120900766
1-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]propan-2-ol;hydrochloride
CID 120900705
2-[(4-fluorophenyl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899076
2-cyclopentyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899104
2-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120899808
2-ethyl-1-[(3-methylpiperidin-3-yl)methyl]piperidine
CID 63132783
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
2-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122677
1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120897382
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride?
The IUPAC name of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride (CID 120899306) is 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride is CC1(CN2CCCC2CN2CCCC2)CCNC1.Cl.
What is the InChIKey of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride?
The InChIKey is UADFKMDYXBDRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.ClH/c1-15(6-7-16-12-15)13-18-10-4-5-14(18)11-17-8-2-3-9-17;/h14,16H,2-13H2,1H3;1H.
What are the key properties of 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride?
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride has a molecular weight of 287.88 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 120899306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).