3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine

C14H29NO — CID 134238611

IUPAC3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine
SMILESC=C(OCC(CC)CCCC)C(C)(C)NC
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-16-12(3)14(4,5)15-6/h13,15H,3,7-11H2,1-2,4-6H3
InChIKeyOHSNLJVMAMFXTG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.73
Rot. Bonds9

About 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine

3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine (PubChem CID 134238611) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine
PubChem CID134238611
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine
SMILESC=C(OCC(CC)CCCC)C(C)(C)NC
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-16-12(3)14(4,5)15-6/h13,15H,3,7-11H2,1-2,4-6H3
InChIKeyOHSNLJVMAMFXTG-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpenta-1,4-dien-2-yloxymethyl)heptane
CID 88563765
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
2-ethylhexyl 5-methylhexanoate
CID 129117635
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
[(2R)-2-ethylhexyl] N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 163144490
4-O-(2-ethylhexyl) 1-O-propan-2-yl 2-methylidenebutanedioate
CID 139842373
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine?
The IUPAC name of 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine (CID 134238611) is 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine is C=C(OCC(CC)CCCC)C(C)(C)NC.
What is the InChIKey of 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine?
The InChIKey is OHSNLJVMAMFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-10-13(8-2)11-16-12(3)14(4,5)15-6/h13,15H,3,7-11H2,1-2,4-6H3.
What are the key properties of 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine?
3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine is sourced from PubChem (CID 134238611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).