(1-benzyl-4-methylpyrrolidin-3-yl)methanamine

C13H20N2 — CID 23062042

IUPAC(1-benzyl-4-methylpyrrolidin-3-yl)methanamine
SMILESCC1CN(Cc2ccccc2)CC1CN
InChIInChI=1S/C13H20N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKeyGLFBPDDMMVIVQJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.71
Rot. Bonds3

About (1-benzyl-4-methylpyrrolidin-3-yl)methanamine

(1-benzyl-4-methylpyrrolidin-3-yl)methanamine (PubChem CID 23062042) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1-benzyl-4-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-4-methylpyrrolidin-3-yl)methanamine
PubChem CID23062042
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1-benzyl-4-methylpyrrolidin-3-yl)methanamine
SMILESCC1CN(Cc2ccccc2)CC1CN
InChIInChI=1S/C13H20N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKeyGLFBPDDMMVIVQJ-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-benzyl-4-methylpyrrolidin-3-yl)methanamine (CID 23062042) is (1-benzyl-4-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-benzyl-4-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-benzyl-4-methylpyrrolidin-3-yl)methanamine is CC1CN(Cc2ccccc2)CC1CN.
What is the InChIKey of (1-benzyl-4-methylpyrrolidin-3-yl)methanamine?
The InChIKey is GLFBPDDMMVIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3.
What are the key properties of (1-benzyl-4-methylpyrrolidin-3-yl)methanamine?
(1-benzyl-4-methylpyrrolidin-3-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 23062042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).