1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine

C16H31NO — CID 163498148

IUPAC1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
SMILESCC(C)(C)COCC1CN(CC2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-18-12-15-10-17(11-15)9-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3
InChIKeyQRPVRUKXOYLYOX-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.56
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine

1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine (PubChem CID 163498148) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
PubChem CID163498148
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine
SMILESCC(C)(C)COCC1CN(CC2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-18-12-15-10-17(11-15)9-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3
InChIKeyQRPVRUKXOYLYOX-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine (CID 163498148) is 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine is CC(C)(C)COCC1CN(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
The InChIKey is QRPVRUKXOYLYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,3)13-18-12-15-10-17(11-15)9-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine?
1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine has a molecular weight of 253.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine is sourced from PubChem (CID 163498148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).