3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine

C14H27NO2 — CID 103228879

IUPAC3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine
SMILESCOCC(CN)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27NO2/c1-13(2)10-5-6-14(13,3)12(7-10)17-11(8-15)9-16-4/h10-12H,5-9,15H2,1-4H3
InChIKeyPUGXRCMKEZBNQR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.19
Rot. Bonds5

About 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine

3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine (PubChem CID 103228879) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine
PubChem CID103228879
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine
SMILESCOCC(CN)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C14H27NO2/c1-13(2)10-5-6-14(13,3)12(7-10)17-11(8-15)9-16-4/h10-12H,5-9,15H2,1-4H3
InChIKeyPUGXRCMKEZBNQR-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
3-amino-3-cyclopropyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-ol
CID 114358342
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
methoxymethyl-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane
CID 57356787
2-but-3-en-2-yloxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 70123120
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-4-amino-2-hydroxybutanoate
CID 114007057
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
N'-[2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]ethane-1,2-diamine
CID 19915932
[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-bromo-3-hydroxypropanoate
CID 166031079
dimethyl-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25276894

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine?
The IUPAC name of 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine (CID 103228879) is 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine?
The canonical SMILES for 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine is COCC(CN)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine?
The InChIKey is PUGXRCMKEZBNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)10-5-6-14(13,3)12(7-10)17-11(8-15)9-16-4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine?
3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-1-amine is sourced from PubChem (CID 103228879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).