2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine

C19H37NO — CID 79910449

IUPAC2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine
SMILESCCC(C)(C)C1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C19H37NO/c1-8-17(2,3)14-9-11-15(12-10-14)20-16-13-18(4,5)21-19(16,6)7/h14-16,20H,8-13H2,1-7H3
InChIKeySRMWPZQYDAVYNA-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.92
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine (PubChem CID 79910449) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine
PubChem CID79910449
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine
SMILESCCC(C)(C)C1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C19H37NO/c1-8-17(2,3)14-9-11-15(12-10-14)20-16-13-18(4,5)21-19(16,6)7/h14-16,20H,8-13H2,1-7H3
InChIKeySRMWPZQYDAVYNA-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine (CID 79910449) is 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine is CCC(C)(C)C1CCC(NC2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine?
The InChIKey is SRMWPZQYDAVYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-8-17(2,3)14-9-11-15(12-10-14)20-16-13-18(4,5)21-19(16,6)7/h14-16,20H,8-13H2,1-7H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine has a molecular weight of 295.51 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 79910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).