2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine

C18H29NO — CID 83033464

IUPAC2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
SMILESCc1cc(C)c(C(C)NC2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)17(14(3)10-12)15(4)19-16-7-8-20-18(5,6)11-16/h9-10,15-16,19H,7-8,11H2,1-6H3
InChIKeyZKXZEZFFCVUXTK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.22
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine

2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine (PubChem CID 83033464) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
PubChem CID83033464
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
SMILESCc1cc(C)c(C(C)NC2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)17(14(3)10-12)15(4)19-16-7-8-20-18(5,6)11-16/h9-10,15-16,19H,7-8,11H2,1-6H3
InChIKeyZKXZEZFFCVUXTK-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine (CID 83033464) is 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine is Cc1cc(C)c(C(C)NC2CCOC(C)(C)C2)c(C)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine?
The InChIKey is ZKXZEZFFCVUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-9-13(2)17(14(3)10-12)15(4)19-16-7-8-20-18(5,6)11-16/h9-10,15-16,19H,7-8,11H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 83033464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).