2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine

C15H31NO — CID 166992026

IUPAC2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine
SMILESCCC(CC(CN)C1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-12(11(2)3)9-13(10-16)14-7-8-15(4,5)17-14/h11-14H,6-10,16H2,1-5H3
InChIKeySTZUHZJHLOCOKA-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.59
Rot. Bonds6

About 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine

2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine (PubChem CID 166992026) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine
PubChem CID166992026
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine
SMILESCCC(CC(CN)C1CCC(C)(C)O1)C(C)C
InChIInChI=1S/C15H31NO/c1-6-12(11(2)3)9-13(10-16)14-7-8-15(4,5)17-14/h11-14H,6-10,16H2,1-5H3
InChIKeySTZUHZJHLOCOKA-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine?
The IUPAC name of 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine (CID 166992026) is 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine is CCC(CC(CN)C1CCC(C)(C)O1)C(C)C.
What is the InChIKey of 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine?
The InChIKey is STZUHZJHLOCOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-12(11(2)3)9-13(10-16)14-7-8-15(4,5)17-14/h11-14H,6-10,16H2,1-5H3.
What are the key properties of 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine?
2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyloxolan-2-yl)-4-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 166992026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).