N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine

C16H33NO — CID 114624230

IUPACN-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO/c1-9-17-12(2)10-14(3,4)13-11-15(5,6)18-16(13,7)8/h12-13,17H,9-11H2,1-8H3
InChIKeyBMGYLCJTLUIKLD-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.99
Rot. Bonds5

About N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine

N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine (PubChem CID 114624230) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
PubChem CID114624230
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
SMILESCCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO/c1-9-17-12(2)10-14(3,4)13-11-15(5,6)18-16(13,7)8/h12-13,17H,9-11H2,1-8H3
InChIKeyBMGYLCJTLUIKLD-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine (CID 114624230) is N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine is CCNC(C)CC(C)(C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
The InChIKey is BMGYLCJTLUIKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-9-17-12(2)10-14(3,4)13-11-15(5,6)18-16(13,7)8/h12-13,17H,9-11H2,1-8H3.
What are the key properties of N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine?
N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine is sourced from PubChem (CID 114624230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).