N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine

C13H26N2O — CID 66392098

IUPACN,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
SMILESCNC(CN1CC2CCC(C1)O2)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)12(14-4)9-15-7-10-5-6-11(8-15)16-10/h10-12,14H,5-9H2,1-4H3
InChIKeyTUFOACVEUJWPRF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.48
Rot. Bonds3

About N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine

N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine (PubChem CID 66392098) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
PubChem CID66392098
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
SMILESCNC(CN1CC2CCC(C1)O2)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-13(2,3)12(14-4)9-15-7-10-5-6-11(8-15)16-10/h10-12,14H,5-9H2,1-4H3
InChIKeyTUFOACVEUJWPRF-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine with MolForge

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Related Compounds

N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66391503
N-ethyl-4,4-dimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-amine
CID 66371772
N-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-2-amine
CID 66391107
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66370776
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
CID 63973269
N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448314
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 81079462
2-methyl-2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66371756
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
1-[4,4-dimethyl-3-(methylamino)pentyl]piperidin-4-ol
CID 62625302

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine (CID 66392098) is N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine is CNC(CN1CC2CCC(C1)O2)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
The InChIKey is TUFOACVEUJWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)12(14-4)9-15-7-10-5-6-11(8-15)16-10/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine?
N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine is sourced from PubChem (CID 66392098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).