N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C18H31ClN4O — CID 120836577

IUPACN-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCOCCN(C)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-21(8-9-23-3)18-7-4-14(12-19-18)13-22(2)17-10-15-5-6-16(11-17)20-15;/h4,7,12,15-17,20H,5-6,8-11,13H2,1-3H3;1H
InChIKeyVREJPFKKUAIDDW-UHFFFAOYSA-N
MW354.93 g/mol
LogP2.30
Rot. Bonds7

About N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836577) has the molecular formula C18H31ClN4O and a molecular weight of 354.93 g/mol. Its IUPAC name is N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836577
Molecular FormulaC18H31ClN4O
Molecular Weight354.93 g/mol
Exact Mass354.22
IUPAC NameN-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCOCCN(C)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1.Cl
InChIInChI=1S/C18H30N4O.ClH/c1-21(8-9-23-3)18-7-4-14(12-19-18)13-22(2)17-10-15-5-6-16(11-17)20-15;/h4,7,12,15-17,20H,5-6,8-11,13H2,1-3H3;1H
InChIKeyVREJPFKKUAIDDW-UHFFFAOYSA-N
XLogP2.30
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.93
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120843047
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 63008122
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836468
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 104869195
N-[(4-ethoxy-3-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836496

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836577) is N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is COCCN(C)c1ccc(CN(C)C2CC3CCC(C2)N3)cn1.Cl.
What is the InChIKey of N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is VREJPFKKUAIDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.ClH/c1-21(8-9-23-3)18-7-4-14(12-19-18)13-22(2)17-10-15-5-6-16(11-17)20-15;/h4,7,12,15-17,20H,5-6,8-11,13H2,1-3H3;1H.
What are the key properties of N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 354.93 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).