4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine

C13H26N2O2 — CID 106675754

IUPAC4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C13H26N2O2/c1-13(2,16-3)6-10(7-14)15-8-11-4-5-12(9-15)17-11/h10-12H,4-9,14H2,1-3H3
InChIKeyNADVVGQZFHCDKF-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds5

About 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine

4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine (PubChem CID 106675754) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
PubChem CID106675754
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C13H26N2O2/c1-13(2,16-3)6-10(7-14)15-8-11-4-5-12(9-15)17-11/h10-12H,4-9,14H2,1-3H3
InChIKeyNADVVGQZFHCDKF-UHFFFAOYSA-N
XLogP0.99
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-2-amine
CID 66391123
(1S,5R,8S)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 118893835
(1S,5R,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 118893840
[(1R,5S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]methanamine
CID 135182226
(1S,5R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 139333373
(1S,8R)-3-methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 139503699
ethane;(1R,5R,6S)-3-methyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 153567709
3-Methyl-6-oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 166797048
(1R,5R,6S)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 166882094
N,N,N'-trimethyl-N'-[(3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octan-6-yl)methyl]ethane-1,2-diamine
CID 170616870
ethane;N,N,N'-trimethyl-N'-(8-oxa-3-azabicyclo[3.2.1]octan-6-ylmethyl)ethane-1,2-diamine
CID 170616963
(1R,5R,6R)-6-ethoxy-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 171748285

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine (CID 106675754) is 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine is COC(C)(C)CC(CN)N1CC2CCC(C1)O2.
What is the InChIKey of 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
The InChIKey is NADVVGQZFHCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,16-3)6-10(7-14)15-8-11-4-5-12(9-15)17-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine?
4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-amine is sourced from PubChem (CID 106675754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).