[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C15H29N3O2 — CID 103531916

IUPAC[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCOC1CN(C2(CN)CC3CCC(C2)N3C)CC1OC
InChIInChI=1S/C15H29N3O2/c1-17-11-4-5-12(17)7-15(6-11,10-16)18-8-13(19-2)14(9-18)20-3/h11-14H,4-10,16H2,1-3H3
InChIKeyONVROIPUXPVZFE-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds4

About [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 103531916) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID103531916
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCOC1CN(C2(CN)CC3CCC(C2)N3C)CC1OC
InChIInChI=1S/C15H29N3O2/c1-17-11-4-5-12(17)7-15(6-11,10-16)18-8-13(19-2)14(9-18)20-3/h11-14H,4-10,16H2,1-3H3
InChIKeyONVROIPUXPVZFE-UHFFFAOYSA-N
XLogP0.29
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine with MolForge

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Related Compounds

[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 43620231
[1-(3,4-dimethoxypyrrolidin-1-yl)-4-methylcycloheptyl]methanamine
CID 103531897
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[3-(3,4-dimethoxypyrrolidin-1-yl)thian-3-yl]methanamine
CID 103531803
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[3-ethyl-1-(3-methoxy-4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 102964836
[3-(2,3-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 62124600
[3-(2,4-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 55061316
[1-(2,6-dimethylmorpholin-4-yl)-3-methoxycyclobutyl]methanamine
CID 106821672
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 103531916) is [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is COC1CN(C2(CN)CC3CCC(C2)N3C)CC1OC.
What is the InChIKey of [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is ONVROIPUXPVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-11-4-5-12(17)7-15(6-11,10-16)18-8-13(19-2)14(9-18)20-3/h11-14H,4-10,16H2,1-3H3.
What are the key properties of [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 103531916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).