1-(2-ethylhexoxy)-2-methylpropan-2-amine

C12H27NO — CID 64535798

IUPAC1-(2-ethylhexoxy)-2-methylpropan-2-amine
SMILESCCCCC(CC)COCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-7-8-11(6-2)9-14-10-12(3,4)13/h11H,5-10,13H2,1-4H3
InChIKeyLUNFWAVQCVDQSJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds8

About 1-(2-ethylhexoxy)-2-methylpropan-2-amine

1-(2-ethylhexoxy)-2-methylpropan-2-amine (PubChem CID 64535798) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-2-methylpropan-2-amine
PubChem CID64535798
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(2-ethylhexoxy)-2-methylpropan-2-amine
SMILESCCCCC(CC)COCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-5-7-8-11(6-2)9-14-10-12(3,4)13/h11H,5-10,13H2,1-4H3
InChIKeyLUNFWAVQCVDQSJ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylhexoxy)-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-(2-ethylhexoxy)-N,2,2-trimethylpropan-1-amine
CID 79626671
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanenitrile
CID 63906066
2-ethylhexoxymethanol
CID 18783221
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-ethylhexoxy)-2-methylpropan-2-amine (CID 64535798) is 1-(2-ethylhexoxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-ethylhexoxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-ethylhexoxy)-2-methylpropan-2-amine is CCCCC(CC)COCC(C)(C)N.
What is the InChIKey of 1-(2-ethylhexoxy)-2-methylpropan-2-amine?
The InChIKey is LUNFWAVQCVDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-8-11(6-2)9-14-10-12(3,4)13/h11H,5-10,13H2,1-4H3.
What are the key properties of 1-(2-ethylhexoxy)-2-methylpropan-2-amine?
1-(2-ethylhexoxy)-2-methylpropan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-2-methylpropan-2-amine is sourced from PubChem (CID 64535798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).