N-methyl-1-pyridin-3-ylethanamine

C8H12N2 — CID 16778481

IUPACN-methyl-1-pyridin-3-ylethanamine
SMILESCNC(C)c1cccnc1
InChIInChI=1S/C8H12N2/c1-7(9-2)8-4-3-5-10-6-8/h3-7,9H,1-2H3
InChIKeyRYLMQQMCVLCCOT-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.36
Rot. Bonds2

About N-methyl-1-pyridin-3-ylethanamine

N-methyl-1-pyridin-3-ylethanamine (PubChem CID 16778481) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-pyridin-3-ylethanamine
PubChem CID16778481
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-methyl-1-pyridin-3-ylethanamine
SMILESCNC(C)c1cccnc1
InChIInChI=1S/C8H12N2/c1-7(9-2)8-4-3-5-10-6-8/h3-7,9H,1-2H3
InChIKeyRYLMQQMCVLCCOT-UHFFFAOYSA-N
XLogP1.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of N-methyl-1-pyridin-3-ylethanamine (CID 16778481) is N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for N-methyl-1-pyridin-3-ylethanamine is CNC(C)c1cccnc1.
What is the InChIKey of N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is RYLMQQMCVLCCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(9-2)8-4-3-5-10-6-8/h3-7,9H,1-2H3.
What are the key properties of N-methyl-1-pyridin-3-ylethanamine?
N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 16778481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).