2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

C14H29NO — CID 116523803

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(CC1CCC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)11(10-15-6)9-12-7-8-14(4,5)16-12/h11-12,15H,7-10H2,1-6H3
InChIKeyLUUWNYPARPUBBN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (PubChem CID 116523803) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
PubChem CID116523803
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
SMILESCNCC(CC1CCC(C)(C)O1)C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)11(10-15-6)9-12-7-8-14(4,5)16-12/h11-12,15H,7-10H2,1-6H3
InChIKeyLUUWNYPARPUBBN-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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)methyl]-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine (CID 116523803) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine is CNCC(CC1CCC(C)(C)O1)C(C)(C)C.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
The InChIKey is LUUWNYPARPUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)11(10-15-6)9-12-7-8-14(4,5)16-12/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 4 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)methyl]-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 116523803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).