3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol

C14H31NO2 — CID 114358105

IUPAC3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
SMILESCCCCC(CC)COC(CO)C(N)C(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-8-12(6-2)10-17-13(9-16)14(15)11(3)4/h11-14,16H,5-10,15H2,1-4H3
InChIKeyNAHUMXJNJCKRDG-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.56
Rot. Bonds10

About 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol

3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol (PubChem CID 114358105) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
PubChem CID114358105
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
SMILESCCCCC(CC)COC(CO)C(N)C(C)C
InChIInChI=1S/C14H31NO2/c1-5-7-8-12(6-2)10-17-13(9-16)14(15)11(3)4/h11-14,16H,5-10,15H2,1-4H3
InChIKeyNAHUMXJNJCKRDG-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-cyclopropyl-2-(2-ethylhexoxy)propan-1-ol
CID 114358104
3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
(1R)-1-[(2S)-2-ethylhexoxy]propan-1-amine
CID 96570976
3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
3-(2-ethylhexoxy)hexane-2,5-diol
CID 123693494
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
2-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
CID 114358005
3-(difluoromethoxymethyl)heptane
CID 162429038

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol (CID 114358105) is 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol is CCCCC(CC)COC(CO)C(N)C(C)C.
What is the InChIKey of 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol?
The InChIKey is NAHUMXJNJCKRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-5-7-8-12(6-2)10-17-13(9-16)14(15)11(3)4/h11-14,16H,5-10,15H2,1-4H3.
What are the key properties of 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol?
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol is sourced from PubChem (CID 114358105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).