1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride

C19H32ClN3 — CID 120902348

IUPAC1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCN(CC1(C)CCNC1)C1CCN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H31N3.ClH/c1-3-22(16-19(2)10-11-20-15-19)18-9-12-21(14-18)13-17-7-5-4-6-8-17;/h4-8,18,20H,3,9-16H2,1-2H3;1H
InChIKeyMZNHWKBUNJISKJ-UHFFFAOYSA-N
MW337.94 g/mol
LogP3.00
Rot. Bonds6

About 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride

1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120902348) has the molecular formula C19H32ClN3 and a molecular weight of 337.94 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120902348
Molecular FormulaC19H32ClN3
Molecular Weight337.94 g/mol
Exact Mass337.23
IUPAC Name1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCN(CC1(C)CCNC1)C1CCN(Cc2ccccc2)C1.Cl
InChIInChI=1S/C19H31N3.ClH/c1-3-22(16-19(2)10-11-20-15-19)18-9-12-21(14-18)13-17-7-5-4-6-8-17;/h4-8,18,20H,3,9-16H2,1-2H3;1H
InChIKeyMZNHWKBUNJISKJ-UHFFFAOYSA-N
XLogP3.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.94
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
1-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
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2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
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1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
3-benzyl-3-methylpyrrolidine
CID 58254769
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
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N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 120900591
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
CID 104870055
1-[(3-chlorophenyl)methyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120902348) is 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is CCN(CC1(C)CCNC1)C1CCN(Cc2ccccc2)C1.Cl.
What is the InChIKey of 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is MZNHWKBUNJISKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3.ClH/c1-3-22(16-19(2)10-11-20-15-19)18-9-12-21(14-18)13-17-7-5-4-6-8-17;/h4-8,18,20H,3,9-16H2,1-2H3;1H.
What are the key properties of 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 337.94 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).