[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine

C16H33NO2 — CID 112587831

IUPAC[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCOC(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-13(2)14-6-8-16(12-17,9-7-14)19-11-10-18-15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyJIPKMAICPJPSTH-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.36
Rot. Bonds6

About [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine

[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 112587831) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID112587831
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCOC(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-13(2)14-6-8-16(12-17,9-7-14)19-11-10-18-15(3,4)5/h13-14H,6-12,17H2,1-5H3
InChIKeyJIPKMAICPJPSTH-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine (CID 112587831) is [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCCOC(C)(C)C)CC1.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is JIPKMAICPJPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)14-6-8-16(12-17,9-7-14)19-11-10-18-15(3,4)5/h13-14H,6-12,17H2,1-5H3.
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine?
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 271.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 112587831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).