2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine

C14H27NO — CID 102640712

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCC(C)(C)O1
InChIInChI=1S/C14H27NO/c1-6-14(5,11-15-7-2)10-12-8-9-13(3,4)16-12/h6,12,15H,1,7-11H2,2-5H3
InChIKeyGKPACWFETBMENW-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds6

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

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine (PubChem CID 102640712) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
PubChem CID102640712
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCC(C)(C)O1
InChIInChI=1S/C14H27NO/c1-6-14(5,11-15-7-2)10-12-8-9-13(3,4)16-12/h6,12,15H,1,7-11H2,2-5H3
InChIKeyGKPACWFETBMENW-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
CID 102900563
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 116523669
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 116523574
2-ethenyl-N-ethyl-2-methylpentan-1-amine
CID 102640736
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
2-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethylbutan-1-ol
CID 116525112
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900369
2-cyclopropyl-3-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 116525154
2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
CID 102902372

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine (CID 102640712) is 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine is C=CC(C)(CNCC)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine?
The InChIKey is GKPACWFETBMENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(5,11-15-7-2)10-12-8-9-13(3,4)16-12/h6,12,15H,1,7-11H2,2-5H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine?
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 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]-N-ethyl-2-methylbut-3-en-1-amine is sourced from PubChem (CID 102640712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).