N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

C25H49NO2 — CID 58150251

IUPACN-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCN(C)CCOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H49NO2/c1-18(2)22-10-8-20(5)16-24(22)27-14-12-26(7)13-15-28-25-17-21(6)9-11-23(25)19(3)4/h18-25H,8-17H2,1-7H3
InChIKeyXUQAVUUUPOOQBU-UHFFFAOYSA-N
MW395.67 g/mol
LogP5.87
Rot. Bonds10

About N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine

N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (PubChem CID 58150251) has the molecular formula C25H49NO2 and a molecular weight of 395.67 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
PubChem CID58150251
Molecular FormulaC25H49NO2
Molecular Weight395.67 g/mol
Exact Mass395.38
IUPAC NameN-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine
SMILESCC1CCC(C(C)C)C(OCCN(C)CCOC2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C25H49NO2/c1-18(2)22-10-8-20(5)16-24(22)27-14-12-26(7)13-15-28-25-17-21(6)9-11-23(25)19(3)4/h18-25H,8-17H2,1-7H3
InChIKeyXUQAVUUUPOOQBU-UHFFFAOYSA-N
XLogP5.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine (CID 58150251) is N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is CC1CCC(C(C)C)C(OCCN(C)CCOC2CC(C)CCC2C(C)C)C1.
What is the InChIKey of N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
The InChIKey is XUQAVUUUPOOQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO2/c1-18(2)22-10-8-20(5)16-24(22)27-14-12-26(7)13-15-28-25-17-21(6)9-11-23(25)19(3)4/h18-25H,8-17H2,1-7H3.
What are the key properties of N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine?
N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine has a molecular weight of 395.67 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]ethanamine is sourced from PubChem (CID 58150251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).