4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C18H36N2O — CID 79913626

IUPAC4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN(C)C2CCCCCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-17(2)15(16(19-5)18(3,4)21-17)13-20(6)14-11-9-7-8-10-12-14/h14-16,19H,7-13H2,1-6H3
InChIKeyDDJSYCJKPJMEST-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.43
Rot. Bonds4

About 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79913626) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79913626
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN(C)C2CCCCCC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-17(2)15(16(19-5)18(3,4)21-17)13-20(6)14-11-9-7-8-10-12-14/h14-16,19H,7-13H2,1-6H3
InChIKeyDDJSYCJKPJMEST-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79913626) is 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CNC1C(CN(C)C2CCCCCC2)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is DDJSYCJKPJMEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-17(2)15(16(19-5)18(3,4)21-17)13-20(6)14-11-9-7-8-10-12-14/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79913626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).