3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine

C14H31NO — CID 79626671

IUPAC3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
SMILESCCCCC(CC)COCC(C)(C)CNC
InChIInChI=1S/C14H31NO/c1-6-8-9-13(7-2)10-16-12-14(3,4)11-15-5/h13,15H,6-12H2,1-5H3
InChIKeySJIOQCVLFVZDOR-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.46
Rot. Bonds10

About 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine

3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine (PubChem CID 79626671) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
PubChem CID79626671
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
SMILESCCCCC(CC)COCC(C)(C)CNC
InChIInChI=1S/C14H31NO/c1-6-8-9-13(7-2)10-16-12-14(3,4)11-15-5/h13,15H,6-12H2,1-5H3
InChIKeySJIOQCVLFVZDOR-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
CID 55192880
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 55196096
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-ethylhexoxymethanol
CID 18783221
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine (CID 79626671) is 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine is CCCCC(CC)COCC(C)(C)CNC.
What is the InChIKey of 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine?
The InChIKey is SJIOQCVLFVZDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-13(7-2)10-16-12-14(3,4)11-15-5/h13,15H,6-12H2,1-5H3.
What are the key properties of 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine?
3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 79626671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).