2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine

C14H29NO — CID 116523669

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CC1CCC(C)(C)O1
InChIInChI=1S/C14H29NO/c1-6-14(7-2,11-15-5)10-12-8-9-13(3,4)16-12/h12,15H,6-11H2,1-5H3
InChIKeyLADLNWRKWFAZFC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds6

About 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 116523669) 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]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID116523669
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CC1CCC(C)(C)O1
InChIInChI=1S/C14H29NO/c1-6-14(7-2,11-15-5)10-12-8-9-13(3,4)16-12/h12,15H,6-11H2,1-5H3
InChIKeyLADLNWRKWFAZFC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-propylpropane-1,3-diol
CID 116525290
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 116523803
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
5-[2-(chloromethyl)-2,3-dimethylbutyl]-2,2-dimethyloxolane
CID 116525259
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 116523669) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is LADLNWRKWFAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-14(7-2,11-15-5)10-12-8-9-13(3,4)16-12/h12,15H,6-11H2,1-5H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 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)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 116523669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).