N-methyl-2-pyridin-2-ylethanamine dichloride

C8H12Cl2N2-2 — CID 45114105

IUPACN-methyl-2-pyridin-2-ylethanamine dichloride
SMILESCNCCc1ccccn1.[Cl-].[Cl-]
InChIInChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H/p-2
InChIKeyXVDFMHARQUBJRE-UHFFFAOYSA-L
MW207.10 g/mol
LogP-5.15
Rot. Bonds3

About N-methyl-2-pyridin-2-ylethanamine dichloride

N-methyl-2-pyridin-2-ylethanamine dichloride (PubChem CID 45114105) has the molecular formula C8H12Cl2N2-2 and a molecular weight of 207.10 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-ylethanamine dichloride.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-ylethanamine dichloride
PubChem CID45114105
Molecular FormulaC8H12Cl2N2-2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC NameN-methyl-2-pyridin-2-ylethanamine dichloride
SMILESCNCCc1ccccn1.[Cl-].[Cl-]
InChIInChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H/p-2
InChIKeyXVDFMHARQUBJRE-UHFFFAOYSA-L
XLogP-5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 5-5.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
2-pyridin-2-yl-N-(trideuterio(113C)methyl)ethanamine
CID 163322530
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
2-[2-[[ethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylethanamine
CID 115464256
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N-(2-pyridin-2-ylethyl)pyrrol-1-amine
CID 79100287
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-ylethanamine dichloride?
The IUPAC name of N-methyl-2-pyridin-2-ylethanamine dichloride (CID 45114105) is N-methyl-2-pyridin-2-ylethanamine dichloride.
What is the SMILES notation for N-methyl-2-pyridin-2-ylethanamine dichloride?
The canonical SMILES for N-methyl-2-pyridin-2-ylethanamine dichloride is CNCCc1ccccn1.[Cl-].[Cl-].
What is the InChIKey of N-methyl-2-pyridin-2-ylethanamine dichloride?
The InChIKey is XVDFMHARQUBJRE-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H/p-2.
What are the key properties of N-methyl-2-pyridin-2-ylethanamine dichloride?
N-methyl-2-pyridin-2-ylethanamine dichloride has a molecular weight of 207.10 g/mol, XLogP of -5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-ylethanamine dichloride is sourced from PubChem (CID 45114105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).