1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

C18H33NO — CID 104749629

IUPAC1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCNC(COC1CC2CCC1(C)C2(C)C)C1CCCC1
InChIInChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(11-14)20-12-15(19-4)13-7-5-6-8-13/h13-16,19H,5-12H2,1-4H3
InChIKeyWXECOTHMLXWXGL-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.00
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (PubChem CID 104749629) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
PubChem CID104749629
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCNC(COC1CC2CCC1(C)C2(C)C)C1CCCC1
InChIInChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(11-14)20-12-15(19-4)13-7-5-6-8-13/h13-16,19H,5-12H2,1-4H3
InChIKeyWXECOTHMLXWXGL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine with MolForge

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Related Compounds

1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749622
1-(cyclopentylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
CID 18593472
(2S)-1-(propan-2-ylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124827410
N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749625
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
(2R)-1-(2-methylpropylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760996
1-(2-methylpropylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 18593483
(2S)-1-(2-methylpropylamino)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98182501
(2R)-1-(tert-butylamino)-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98182465
(2S)-1-(azepan-1-yl)-3-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 100802838
(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 23309528

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (CID 104749629) is 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is CNC(COC1CC2CCC1(C)C2(C)C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The InChIKey is WXECOTHMLXWXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-17(2)14-9-10-18(17,3)16(11-14)20-12-15(19-4)13-7-5-6-8-13/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is sourced from PubChem (CID 104749629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).