[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

C18H33N3 — CID 43620231

IUPAC[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
SMILESCN1C2CCC1CC(CN)(N1CCC3CCCCC3C1)C2
InChIInChI=1S/C18H33N3/c1-20-16-6-7-17(20)11-18(10-16,13-19)21-9-8-14-4-2-3-5-15(14)12-21/h14-17H,2-13,19H2,1H3
InChIKeyHIJMNLFMUXVSMH-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.45
Rot. Bonds2

About [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

[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 (PubChem CID 43620231) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID43620231
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name[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
SMILESCN1C2CCC1CC(CN)(N1CCC3CCCCC3C1)C2
InChIInChI=1S/C18H33N3/c1-20-16-6-7-17(20)11-18(10-16,13-19)21-9-8-14-4-2-3-5-15(14)12-21/h14-17H,2-13,19H2,1H3
InChIKeyHIJMNLFMUXVSMH-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [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 with MolForge

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Related Compounds

[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
CID 79166206
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,3,5-trimethylcyclohexyl]methanamine
CID 43620259
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[3-(3,4-dimethoxypyrrolidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 103531916
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308
[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-ethylazepan-4-yl]methanamine
CID 65078315
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3-(2,3-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 62124600
[3,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexyl]methanamine
CID 81199459
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN1C2CCC1CC(CN)(N1CCC3CCCCC3C1)C2.
What is the InChIKey of [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?
The InChIKey is HIJMNLFMUXVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-20-16-6-7-17(20)11-18(10-16,13-19)21-9-8-14-4-2-3-5-15(14)12-21/h14-17H,2-13,19H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 291.48 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 43620231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).