2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C15H31NO — CID 103074534

IUPAC2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(CC)CCCC
InChIInChI=1S/C15H31NO/c1-6-8-9-15(7-2)12-17-11-14(5)10-16-13(3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyBQFMDUGORUOOMX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.77
Rot. Bonds11

About 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074534) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074534
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(CC)CCCC
InChIInChI=1S/C15H31NO/c1-6-8-9-15(7-2)12-17-11-14(5)10-16-13(3)4/h13,15-16H,5-12H2,1-4H3
InChIKeyBQFMDUGORUOOMX-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.77
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

2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
2-(2-ethylhexoxy)acetic acid
CID 11651287
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-(2-ethylhexoxy)ethanethioamide
CID 43128235
2-ethylhexoxymethanol
CID 18783221
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
3-(2-propan-2-yloxypropoxymethyl)heptane
CID 154279461
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
CID 88753128
CID 88753128
3-(prop-2-enoxymethyl)heptane
CID 3530837

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074534) is 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCC(CC)CCCC.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is BQFMDUGORUOOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-8-9-15(7-2)12-17-11-14(5)10-16-13(3)4/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).