N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride

C8H14Cl2N2 — CID 171316354

IUPACN-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCNCc1cnccc1C.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-7-3-4-10-6-8(7)5-9-2;;/h3-4,6,9H,5H2,1-2H3;2*1H
InChIKeyHPPNRQPYARAOLA-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride

N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 171316354) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
PubChem CID171316354
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC NameN-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
SMILESCNCc1cnccc1C.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-7-3-4-10-6-8(7)5-9-2;;/h3-4,6,9H,5H2,1-2H3;2*1H
InChIKeyHPPNRQPYARAOLA-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-methyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272321
N-methyl-1-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 114957819
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
CID 114955540
2-methyl-3-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 114955965
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride (CID 171316354) is N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride is CNCc1cnccc1C.Cl.Cl.
What is the InChIKey of N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is HPPNRQPYARAOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-7-3-4-10-6-8(7)5-9-2;;/h3-4,6,9H,5H2,1-2H3;2*1H.
What are the key properties of N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride?
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 171316354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).