1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine

C17H33NO — CID 166559632

IUPAC1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CN(C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-16(2,3)13-7-9-14(10-8-13)18-11-15(12-18)19-17(4,5)6/h13-15H,7-12H2,1-6H3
InChIKeyAUKHQHQHNDUWLH-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.09
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine

1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine (PubChem CID 166559632) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
PubChem CID166559632
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCC(C)(C)OC1CN(C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H33NO/c1-16(2,3)13-7-9-14(10-8-13)18-11-15(12-18)19-17(4,5)6/h13-15H,7-12H2,1-6H3
InChIKeyAUKHQHQHNDUWLH-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]azetidine
CID 166567369
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrolidine
CID 122502417
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
[1-(4-tert-butylcyclohexyl)-4-methylpiperidin-3-yl]methanamine
CID 114960180
3-tert-butyl-1-cyclohexylazetidine
CID 122606400
3,3-difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170257592
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
4-(4-tert-butylcyclohexyl)-1,4-thiazinane 1,1-dioxide
CID 58394776
1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
CID 79880572
4-(4-tert-butylcyclohexyl)piperazine-1-carboxylic acid
CID 91007928
(3S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]pyrrolidine
CID 170255743
1-ethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 58721733

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine (CID 166559632) is 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine is CC(C)(C)OC1CN(C2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The InChIKey is AUKHQHQHNDUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)13-7-9-14(10-8-13)18-11-15(12-18)19-17(4,5)6/h13-15H,7-12H2,1-6H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine has a molecular weight of 267.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-3-[(2-methylpropan-2-yl)oxy]azetidine is sourced from PubChem (CID 166559632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).