1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride

C8H13ClN2 — CID 127263938

IUPAC1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1ccc(C(C)N)nc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-6-3-4-8(7(2)9)10-5-6;/h3-5,7H,9H2,1-2H3;1H
InChIKeyQBMFTTZBSGXNML-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.83
Rot. Bonds1

About 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride

1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 127263938) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
PubChem CID127263938
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1ccc(C(C)N)nc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-6-3-4-8(7(2)9)10-5-6;/h3-5,7H,9H2,1-2H3;1H
InChIKeyQBMFTTZBSGXNML-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(5-methyl-2-pyridinyl)pentan-2-amine
CID 63197672
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
2-(5-methyl-2-pyridinyl)propanamide
CID 67185954
2-(1-fluoroethyl)-5-methylpyridine
CID 126491448
cyclopropyl-(5-methyl-2-pyridinyl)methanamine;hydrochloride
CID 171338154
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
1-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127743
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
5-methyl-2-pentan-2-ylpyridine
CID 121401028
[6-[(1S)-1-aminoethyl]-3-pyridinyl]methanol
CID 131171813

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride (CID 127263938) is 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride is Cc1ccc(C(C)N)nc1.Cl.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is QBMFTTZBSGXNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-6-3-4-8(7(2)9)10-5-6;/h3-5,7H,9H2,1-2H3;1H.
What are the key properties of 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride?
1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 127263938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).