N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine

C12H19N3 — CID 62370366

IUPACN-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1cccnc1)CC1CCNC1
InChIInChI=1S/C12H19N3/c1-15(10-12-4-6-14-8-12)9-11-3-2-5-13-7-11/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyMTSQXKHRXWCBSI-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.12
Rot. Bonds4

About N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine

N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine (PubChem CID 62370366) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
PubChem CID62370366
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
SMILESCN(Cc1cccnc1)CC1CCNC1
InChIInChI=1S/C12H19N3/c1-15(10-12-4-6-14-8-12)9-11-3-2-5-13-7-11/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyMTSQXKHRXWCBSI-UHFFFAOYSA-N
XLogP1.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine (CID 62370366) is N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine is CN(Cc1cccnc1)CC1CCNC1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
The InChIKey is MTSQXKHRXWCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(10-12-4-6-14-8-12)9-11-3-2-5-13-7-11/h2-3,5,7,12,14H,4,6,8-10H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine?
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 62370366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).