(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

C7H15ClN2O — CID 67761987

IUPAC(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCO[C@@H]1CN=C(N)C[C@H]1C.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-5-3-7(8)9-4-6(5)10-2;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H/t5-,6-;/m1./s1
InChIKeyPVJXRBNVXAYNFJ-KGZKBUQUSA-N
MW178.66 g/mol
LogP0.82
Rot. Bonds1

About (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (PubChem CID 67761987) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
PubChem CID67761987
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCO[C@@H]1CN=C(N)C[C@H]1C.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-5-3-7(8)9-4-6(5)10-2;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H/t5-,6-;/m1./s1
InChIKeyPVJXRBNVXAYNFJ-KGZKBUQUSA-N
XLogP0.82
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-6-amino-4-methyl-2,3,4,5-tetrahydropyridin-3-yl] acetate
CID 45091098
(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-amine
CID 11240701
(4S,4aS,7aS)-4-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[b]pyridin-2-amine
CID 10034809
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
(1S,5S,6S)-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 10877110
1,2-dimethoxy-3-methylcyclopentane
CID 57086988
1,4-dimethoxy-2-methylcyclopentane
CID 170203002
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
CID 166889412
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
(3R)-3-methoxy-4-methyloxolane
CID 147902074
cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
trimethoxy-(4-trimethoxysilylcyclohexyl)silane
CID 142667269

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The IUPAC name of (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (CID 67761987) is (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The canonical SMILES for (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is CO[C@@H]1CN=C(N)C[C@H]1C.Cl.
What is the InChIKey of (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The InChIKey is PVJXRBNVXAYNFJ-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-5-3-7(8)9-4-6(5)10-2;/h5-6H,3-4H2,1-2H3,(H2,8,9);1H/t5-,6-;/m1./s1.
What are the key properties of (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
(3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-4-methyl-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is sourced from PubChem (CID 67761987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).