4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol

C17H33NO2 — CID 65115439

IUPAC4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCC1CC(NCC2(O)CCC(C)(C)CC2)CCO1
InChIInChI=1S/C17H33NO2/c1-4-5-15-12-14(6-11-20-15)18-13-17(19)9-7-16(2,3)8-10-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyBSTQFUMVBOFQOR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.26
Rot. Bonds5

About 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65115439) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65115439
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCCC1CC(NCC2(O)CCC(C)(C)CC2)CCO1
InChIInChI=1S/C17H33NO2/c1-4-5-15-12-14(6-11-20-15)18-13-17(19)9-7-16(2,3)8-10-17/h14-15,18-19H,4-13H2,1-3H3
InChIKeyBSTQFUMVBOFQOR-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol (CID 65115439) is 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol is CCCC1CC(NCC2(O)CCC(C)(C)CC2)CCO1.
What is the InChIKey of 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is BSTQFUMVBOFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-5-15-12-14(6-11-20-15)18-13-17(19)9-7-16(2,3)8-10-17/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[(2-propyloxan-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).