1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane

C26H51NO — CID 58552418

IUPAC1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane
SMILESCCCC1CCCCCCCCCN(CC)C(C2CCC(OC)CC2)CCC1
InChIInChI=1S/C26H51NO/c1-4-14-23-15-11-9-7-6-8-10-12-22-27(5-2)26(17-13-16-23)24-18-20-25(28-3)21-19-24/h23-26H,4-22H2,1-3H3
InChIKeyXPPHZWXBRAGXDO-UHFFFAOYSA-N
MW393.70 g/mol
LogP7.60
Rot. Bonds5

About 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane

1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane (PubChem CID 58552418) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane.

Molecular Properties

Compound Name1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane
PubChem CID58552418
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane
SMILESCCCC1CCCCCCCCCN(CC)C(C2CCC(OC)CC2)CCC1
InChIInChI=1S/C26H51NO/c1-4-14-23-15-11-9-7-6-8-10-12-22-27(5-2)26(17-13-16-23)24-18-20-25(28-3)21-19-24/h23-26H,4-22H2,1-3H3
InChIKeyXPPHZWXBRAGXDO-UHFFFAOYSA-N
XLogP7.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 140426197
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CID 143289904
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CID 145816098
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CID 152786519
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CID 161776658
CID 161776658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane?
The IUPAC name of 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane (CID 58552418) is 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane.
What is the SMILES notation for 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane?
The canonical SMILES for 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane is CCCC1CCCCCCCCCN(CC)C(C2CCC(OC)CC2)CCC1.
What is the InChIKey of 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane?
The InChIKey is XPPHZWXBRAGXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO/c1-4-14-23-15-11-9-7-6-8-10-12-22-27(5-2)26(17-13-16-23)24-18-20-25(28-3)21-19-24/h23-26H,4-22H2,1-3H3.
What are the key properties of 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane?
1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane has a molecular weight of 393.70 g/mol, XLogP of 7.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methoxycyclohexyl)-6-propyl-azacyclopentadecane is sourced from PubChem (CID 58552418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).