5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine

C17H35NO2 — CID 134462178

IUPAC5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCCOC1(OCC(C)CC(C)NC(C)C)CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-19-17(10-8-7-9-11-17)20-13-15(4)12-16(5)18-14(2)3/h14-16,18H,6-13H2,1-5H3
InChIKeyOYJQHKNIPRFSJP-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.11
Rot. Bonds9

About 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine

5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 134462178) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine
PubChem CID134462178
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine
SMILESCCOC1(OCC(C)CC(C)NC(C)C)CCCCC1
InChIInChI=1S/C17H35NO2/c1-6-19-17(10-8-7-9-11-17)20-13-15(4)12-16(5)18-14(2)3/h14-16,18H,6-13H2,1-5H3
InChIKeyOYJQHKNIPRFSJP-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine (CID 134462178) is 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine is CCOC1(OCC(C)CC(C)NC(C)C)CCCCC1.
What is the InChIKey of 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is OYJQHKNIPRFSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-6-19-17(10-8-7-9-11-17)20-13-15(4)12-16(5)18-14(2)3/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine?
5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxycyclohexyl)oxy-4-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 134462178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).