1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol

C13H29NO2 — CID 64815027

IUPAC1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
SMILESCCCCC(CC)COCCC(C)(O)CN
InChIInChI=1S/C13H29NO2/c1-4-6-7-12(5-2)10-16-9-8-13(3,15)11-14/h12,15H,4-11,14H2,1-3H3
InChIKeyXXSYIHOYKMKGQN-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.32
Rot. Bonds10

About 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol

1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol (PubChem CID 64815027) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
PubChem CID64815027
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
SMILESCCCCC(CC)COCCC(C)(O)CN
InChIInChI=1S/C13H29NO2/c1-4-6-7-12(5-2)10-16-9-8-13(3,15)11-14/h12,15H,4-11,14H2,1-3H3
InChIKeyXXSYIHOYKMKGQN-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
CID 64804208
8-(2-ethylhexoxy)octan-1-amine
CID 87537137
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
tris[3-(2-ethylhexoxy)propyl]azanium
CID 173204281
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
N-[2-(2-ethylhexoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 55196096
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol (CID 64815027) is 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol is CCCCC(CC)COCCC(C)(O)CN.
What is the InChIKey of 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol?
The InChIKey is XXSYIHOYKMKGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-4-6-7-12(5-2)10-16-9-8-13(3,15)11-14/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol?
1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 64815027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).