3-[(4-tert-butylcyclohexyl)methyl]azetidine

C14H27N — CID 104574692

IUPAC3-[(4-tert-butylcyclohexyl)methyl]azetidine
SMILESCC(C)(C)C1CCC(CC2CNC2)CC1
InChIInChI=1S/C14H27N/c1-14(2,3)13-6-4-11(5-7-13)8-12-9-15-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPERRXFVHRHPHRO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds2

About 3-[(4-tert-butylcyclohexyl)methyl]azetidine

3-[(4-tert-butylcyclohexyl)methyl]azetidine (PubChem CID 104574692) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)methyl]azetidine
PubChem CID104574692
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-[(4-tert-butylcyclohexyl)methyl]azetidine
SMILESCC(C)(C)C1CCC(CC2CNC2)CC1
InChIInChI=1S/C14H27N/c1-14(2,3)13-6-4-11(5-7-13)8-12-9-15-10-12/h11-13,15H,4-10H2,1-3H3
InChIKeyPERRXFVHRHPHRO-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
3-(cyclopropylmethyl)azetidine
CID 62314893
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
CID 113428540
3-[(4,4-dimethylcyclohexyl)methyl]azetidine
CID 130596177
1-(azetidin-3-yl)-4-[(4-tert-butylcyclohexyl)methyl]piperazine
CID 104575667
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
1-(2-bromoethyl)-4-tert-butylcyclohexane
CID 22929646
1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
CID 123230670
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
5-[4-[(4-tert-butylcyclohexyl)methyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 163900040

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)methyl]azetidine?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)methyl]azetidine (CID 104574692) is 3-[(4-tert-butylcyclohexyl)methyl]azetidine.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)methyl]azetidine?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)methyl]azetidine is CC(C)(C)C1CCC(CC2CNC2)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)methyl]azetidine?
The InChIKey is PERRXFVHRHPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-14(2,3)13-6-4-11(5-7-13)8-12-9-15-10-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)methyl]azetidine?
3-[(4-tert-butylcyclohexyl)methyl]azetidine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)methyl]azetidine is sourced from PubChem (CID 104574692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).