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

Analyze 1-(cyclohexylmethyl)-3-(2,2-dimethylpropoxymethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
6-tert-butyl-3-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 176841382
3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane
CID 139380854
1-(cyclopentylmethyl)-3-methylazetidine;ethane
CID 170635861
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639
3-(cyclopentylmethoxy)-N,2,2-trimethylpropan-1-amine
CID 79627972
ethoxymethylcyclooctane
CID 70370569
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
2-(cyclohexylmethyl)-4-methoxy-4,6-dimethyl-3,3a,5,6a-tetrahydro-1H-cyclopenta[c]pyrrol-6-ol
CID 167255264
1-(cyclohexylmethyl)-4-(3,3-dimethylbutoxy)piperidine
CID 157464485
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
(3aR,6aS)-2-(cyclohexylmethyl)-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 142563547

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).