N-methyl-1-pyridin-4-ylethanamine;dihydrochloride

C8H14Cl2N2 — CID 42921481

IUPACN-methyl-1-pyridin-4-ylethanamine;dihydrochloride
SMILESCNC(C)c1ccncc1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-7(9-2)8-3-5-10-6-4-8;;/h3-7,9H,1-2H3;2*1H
InChIKeyMOUVDOSWBGJREX-UHFFFAOYSA-N
MW209.12 g/mol
LogP2.21
Rot. Bonds2

About N-methyl-1-pyridin-4-ylethanamine;dihydrochloride

N-methyl-1-pyridin-4-ylethanamine;dihydrochloride (PubChem CID 42921481) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is N-methyl-1-pyridin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-pyridin-4-ylethanamine;dihydrochloride
PubChem CID42921481
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC NameN-methyl-1-pyridin-4-ylethanamine;dihydrochloride
SMILESCNC(C)c1ccncc1.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-7(9-2)8-3-5-10-6-4-8;;/h3-7,9H,1-2H3;2*1H
InChIKeyMOUVDOSWBGJREX-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-methyl-4-[1-(methylamino)ethyl]-N-(2-pyridin-4-ylethyl)aniline
CID 60913207
ethane;N-methyl-1-phenylethanamine
CID 91444453
1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 102869888
N,5-dimethyl-4-propan-2-yl-2-pyridin-4-ylhexan-3-amine
CID 114282261
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-methyl-1-pyridin-4-ylethanamine;dihydrochloride (CID 42921481) is N-methyl-1-pyridin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-pyridin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-pyridin-4-ylethanamine;dihydrochloride is CNC(C)c1ccncc1.Cl.Cl.
What is the InChIKey of N-methyl-1-pyridin-4-ylethanamine;dihydrochloride?
The InChIKey is MOUVDOSWBGJREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-7(9-2)8-3-5-10-6-4-8;;/h3-7,9H,1-2H3;2*1H.
What are the key properties of N-methyl-1-pyridin-4-ylethanamine;dihydrochloride?
N-methyl-1-pyridin-4-ylethanamine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 2.21, 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-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 42921481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).