1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride

C8H14Cl2N2 — CID 127264674

IUPAC1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
SMILESCc1cccnc1C(C)N.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-6-4-3-5-10-8(6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H
InChIKeyYKDOWTUCJMZPGO-UHFFFAOYSA-N
MW209.12 g/mol
LogP2.25
Rot. Bonds1

About 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride

1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride (PubChem CID 127264674) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
PubChem CID127264674
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
SMILESCc1cccnc1C(C)N.Cl.Cl
InChIInChI=1S/C8H12N2.2ClH/c1-6-4-3-5-10-8(6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H
InChIKeyYKDOWTUCJMZPGO-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
CID 175402454
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
(1S)-2-methoxy-1-(3-methyl-2-pyridinyl)ethanamine
CID 55293686
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride?
The IUPAC name of 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride (CID 127264674) is 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride is Cc1cccnc1C(C)N.Cl.Cl.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride?
The InChIKey is YKDOWTUCJMZPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.2ClH/c1-6-4-3-5-10-8(6)7(2)9;;/h3-5,7H,9H2,1-2H3;2*1H.
What are the key properties of 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride?
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride has a molecular weight of 209.12 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride is sourced from PubChem (CID 127264674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).