2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

C13H23ClN2O — CID 115611278

IUPAC2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCc1ncccc1CNCCOCC(C)C.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11(2)10-16-8-7-14-9-13-5-4-6-15-12(13)3;/h4-6,11,14H,7-10H2,1-3H3;1H
InChIKeyXGWCQVDEXHRIJK-UHFFFAOYSA-N
MW258.79 g/mol
LogP2.57
Rot. Bonds7

About 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (PubChem CID 115611278) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
PubChem CID115611278
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCc1ncccc1CNCCOCC(C)C.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11(2)10-16-8-7-14-9-13-5-4-6-15-12(13)3;/h4-6,11,14H,7-10H2,1-3H3;1H
InChIKeyXGWCQVDEXHRIJK-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
2-fluoro-3-[[2-(2-methylpropoxy)ethylamino]methyl]benzonitrile
CID 107114854
4-methyl-1-[(2-methyl-3-pyridinyl)methylamino]pentan-2-ol
CID 115611326
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 115589679
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
3-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 106458112
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
3-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridin-2-amine
CID 115684649

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (CID 115611278) is 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is Cc1ncccc1CNCCOCC(C)C.Cl.
What is the InChIKey of 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The InChIKey is XGWCQVDEXHRIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-11(2)10-16-8-7-14-9-13-5-4-6-15-12(13)3;/h4-6,11,14H,7-10H2,1-3H3;1H.
What are the key properties of 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 115611278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).