(2-ethyl-4-pyridinyl)methanamine;hydrochloride

C8H13ClN2 — CID 138109972

IUPAC(2-ethyl-4-pyridinyl)methanamine;hydrochloride
SMILESCCc1cc(CN)ccn1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-8-5-7(6-9)3-4-10-8;/h3-5H,2,6,9H2,1H3;1H
InChIKeyKLVMBICEMOFMTF-UHFFFAOYSA-N
MW172.66 g/mol
LogP1.52
Rot. Bonds2

About (2-ethyl-4-pyridinyl)methanamine;hydrochloride

(2-ethyl-4-pyridinyl)methanamine;hydrochloride (PubChem CID 138109972) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is (2-ethyl-4-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-ethyl-4-pyridinyl)methanamine;hydrochloride
PubChem CID138109972
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name(2-ethyl-4-pyridinyl)methanamine;hydrochloride
SMILESCCc1cc(CN)ccn1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-2-8-5-7(6-9)3-4-10-8;/h3-5H,2,6,9H2,1H3;1H
InChIKeyKLVMBICEMOFMTF-UHFFFAOYSA-N
XLogP1.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-propyl-4-pyridinyl)methanamine;dihydrochloride
CID 122163330
2-ethylpyridin-4-amine
CID 12015366
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
(2-methyl-4-pyridinyl)methanamine;hydrobromide
CID 133056963
(2,6-diethyl-4-pyridinyl)methanamine
CID 139559204
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70983747
[2-(2,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
CID 70982379
4-ethyl-2-(fluoromethyl)pyridine
CID 118281380
[2-(2,3-difluoropropyl)-4-pyridinyl]methanamine
CID 172551853
4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
amino-(2-ethyl-4-pyridinyl)methanethiol
CID 138599340

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (2-ethyl-4-pyridinyl)methanamine;hydrochloride (CID 138109972) is (2-ethyl-4-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (2-ethyl-4-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (2-ethyl-4-pyridinyl)methanamine;hydrochloride is CCc1cc(CN)ccn1.Cl.
What is the InChIKey of (2-ethyl-4-pyridinyl)methanamine;hydrochloride?
The InChIKey is KLVMBICEMOFMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-2-8-5-7(6-9)3-4-10-8;/h3-5H,2,6,9H2,1H3;1H.
What are the key properties of (2-ethyl-4-pyridinyl)methanamine;hydrochloride?
(2-ethyl-4-pyridinyl)methanamine;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 138109972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).