8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H26N2O — CID 103034831

IUPAC8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOC(C)(C)CCN1C2CCC1CC(N)C2
InChIInChI=1S/C13H26N2O/c1-13(2,16-3)6-7-15-11-4-5-12(15)9-10(14)8-11/h10-12H,4-9,14H2,1-3H3
InChIKeyCIMIULMJSBUQSY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds4

About 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 103034831) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID103034831
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOC(C)(C)CCN1C2CCC1CC(N)C2
InChIInChI=1S/C13H26N2O/c1-13(2,16-3)6-7-15-11-4-5-12(15)9-10(14)8-11/h10-12H,4-9,14H2,1-3H3
InChIKeyCIMIULMJSBUQSY-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-Methoxypropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234270
N-(3-ethoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131671
N-(3-methoxypropyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131753
8-methyl-N-[3-(2-methylpropoxy)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131765
8-methyl-N-(3-propan-2-yloxypropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131784
N-ethyl-N-(3-methoxypropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230777
N-(3-methoxypropyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231369
N-(3-methoxypropyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232227
N-(4-methoxy-4-methylpentan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232263
N-ethyl-N-(4-methoxy-4-methylpentan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232443
N-(4-methoxy-4-methylpentan-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233129
1-(3-Amino-8-azabicyclo[3.2.1]octan-8-yl)-2-methylpropan-2-ol
CID 61233727

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 103034831) is 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is COC(C)(C)CCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CIMIULMJSBUQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,16-3)6-7-15-11-4-5-12(15)9-10(14)8-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 103034831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).