1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride

C9H15ClN2 — CID 175402454

IUPAC1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1ccnc(C(C)N)c1C.Cl
InChIInChI=1S/C9H14N2.ClH/c1-6-4-5-11-9(7(6)2)8(3)10;/h4-5,8H,10H2,1-3H3;1H
InChIKeyOEDOHAKTZQQENX-UHFFFAOYSA-N
MW186.69 g/mol
LogP2.14
Rot. Bonds1

About 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride

1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 175402454) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
PubChem CID175402454
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1ccnc(C(C)N)c1C.Cl
InChIInChI=1S/C9H14N2.ClH/c1-6-4-5-11-9(7(6)2)8(3)10;/h4-5,8H,10H2,1-3H3;1H
InChIKeyOEDOHAKTZQQENX-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
CID 156733266
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
(1S)-1-(2-ethynyl-4-methyl-3-pyridinyl)ethanamine
CID 74787995
1-(6-ethyl-5-methylpyrimidin-4-yl)ethanamine
CID 82414481
3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
CID 175407566
CID 175407566
1-(4-methylisoquinolin-1-yl)ethanamine
CID 82575727

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride (CID 175402454) is 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride is Cc1ccnc(C(C)N)c1C.Cl.
What is the InChIKey of 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is OEDOHAKTZQQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.ClH/c1-6-4-5-11-9(7(6)2)8(3)10;/h4-5,8H,10H2,1-3H3;1H.
What are the key properties of 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride?
1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 186.69 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 175402454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).