N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine

C13H20N2 — CID 102775705

IUPACN-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC1CCNC1CNCc1ccccc1
InChIInChI=1S/C13H20N2/c1-11-7-8-15-13(11)10-14-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyPBWQETZIZJXYOY-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.77
Rot. Bonds4

About N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine

N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine (PubChem CID 102775705) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine
PubChem CID102775705
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine
SMILESCC1CCNC1CNCc1ccccc1
InChIInChI=1S/C13H20N2/c1-11-7-8-15-13(11)10-14-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3
InChIKeyPBWQETZIZJXYOY-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
CID 143489271
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102776135
1-(2-methylcyclopropyl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
CID 102776216
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-benzyl-1-(6-methylpiperidin-2-yl)methanamine
CID 54855608
N-benzyl-5-methylazepan-4-amine
CID 174634749
N-benzyl-1-[(1R,2S)-4-ethyl-2-methylcyclohexyl]methanamine
CID 175617918
2-cyclopropyl-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102776220
3-benzyl-2-ethylpyrrolidine
CID 4543797
N-benzyl-1-(5-methylpiperidin-3-yl)methanamine
CID 130854883
N-benzyl-1-(2-ethylcyclohexyl)methanamine
CID 130974356

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine (CID 102775705) is N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine is CC1CCNC1CNCc1ccccc1.
What is the InChIKey of N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine?
The InChIKey is PBWQETZIZJXYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-7-8-15-13(11)10-14-9-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3.
What are the key properties of N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine?
N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 102775705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).