[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine

C17H35NO2 — CID 115942105

IUPAC[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
SMILESCC(C)(C)OCCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-15(2,3)14-7-9-17(13-18,10-8-14)20-12-11-19-16(4,5)6/h14H,7-13,18H2,1-6H3
InChIKeyYCILHWRHWHNTKH-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.75
Rot. Bonds5

About [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine

[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine (PubChem CID 115942105) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
PubChem CID115942105
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine
SMILESCC(C)(C)OCCOC1(CN)CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H35NO2/c1-15(2,3)14-7-9-17(13-18,10-8-14)20-12-11-19-16(4,5)6/h14H,7-13,18H2,1-6H3
InChIKeyYCILHWRHWHNTKH-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.75
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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Related Compounds

[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 112587831
[4-tert-butyl-1-(3-fluoropropoxy)cyclohexyl]methanamine
CID 81105509
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
3-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]oxypropan-1-ol
CID 103377317
1-(bromomethyl)-4-tert-butyl-1-(2-methoxyethoxy)cyclohexane
CID 55036265

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine (CID 115942105) is [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine is CC(C)(C)OCCOC1(CN)CCC(C(C)(C)C)CC1.
What is the InChIKey of [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine?
The InChIKey is YCILHWRHWHNTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-15(2,3)14-7-9-17(13-18,10-8-14)20-12-11-19-16(4,5)6/h14H,7-13,18H2,1-6H3.
What are the key properties of [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine?
[4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine has a molecular weight of 285.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methanamine is sourced from PubChem (CID 115942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).