1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C18H37NO2 — CID 103036112

IUPAC1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(OCC)CCCCC1
InChIInChI=1S/C18H37NO2/c1-6-15-19-16(11-14-17(3,4)20-5)18(21-7-2)12-9-8-10-13-18/h16,19H,6-15H2,1-5H3
InChIKeyGKDFSSLMYBXXIH-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.30
Rot. Bonds10

About 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103036112) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103036112
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(OCC)CCCCC1
InChIInChI=1S/C18H37NO2/c1-6-15-19-16(11-14-17(3,4)20-5)18(21-7-2)12-9-8-10-13-18/h16,19H,6-15H2,1-5H3
InChIKeyGKDFSSLMYBXXIH-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103036112) is 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is GKDFSSLMYBXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-6-15-19-16(11-14-17(3,4)20-5)18(21-7-2)12-9-8-10-13-18/h16,19H,6-15H2,1-5H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103036112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).