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

C19H35NO — CID 104749622

IUPAC1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCNC(COC1CC2CCC1(C)C2(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-18(2)15-10-11-19(18,3)17(12-15)21-13-16(20-4)14-8-6-5-7-9-14/h14-17,20H,5-13H2,1-4H3
InChIKeyMSKBBYSCKOBYGQ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.39
Rot. Bonds5

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

1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (PubChem CID 104749622) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
PubChem CID104749622
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCNC(COC1CC2CCC1(C)C2(C)C)C1CCCCC1
InChIInChI=1S/C19H35NO/c1-18(2)15-10-11-19(18,3)17(12-15)21-13-16(20-4)14-8-6-5-7-9-14/h14-17,20H,5-13H2,1-4H3
InChIKeyMSKBBYSCKOBYGQ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (CID 104749622) is 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is CNC(COC1CC2CCC1(C)C2(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The InChIKey is MSKBBYSCKOBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-18(2)15-10-11-19(18,3)17(12-15)21-13-16(20-4)14-8-6-5-7-9-14/h14-17,20H,5-13H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is sourced from PubChem (CID 104749622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).