1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine

C13H20N2 — CID 4660832

IUPAC1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-14-9-13-7-8-15(11-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyZSYALYBRMVKYAS-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.73
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine

1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 4660832) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID4660832
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-14-9-13-7-8-15(11-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyZSYALYBRMVKYAS-UHFFFAOYSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-ethylpyrrolidine
CID 12648208
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-2,3-dimethylguanidine
CID 124628337
1-benzyl-3-propylpyrrolidine
CID 12648211
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine (CID 4660832) is 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine is CNCC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is ZSYALYBRMVKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-9-13-7-8-15(11-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine?
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 4660832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).