1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol

C17H37NO2 — CID 61463680

IUPAC1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)C(C)CC
InChIInChI=1S/C17H37NO2/c1-6-9-10-16(8-3)12-20-13-17(19)11-18-15(5)14(4)7-2/h14-19H,6-13H2,1-5H3
InChIKeyRLGQLGOPWWJLEY-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.60
Rot. Bonds13

About 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol

1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (PubChem CID 61463680) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
PubChem CID61463680
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC(C)C(C)CC
InChIInChI=1S/C17H37NO2/c1-6-9-10-16(8-3)12-20-13-17(19)11-18-15(5)14(4)7-2/h14-19H,6-13H2,1-5H3
InChIKeyRLGQLGOPWWJLEY-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]propanamide
CID 54938909
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
CID 88753128
CID 88753128
1-(2-ethylhexoxy)-3-(2-methoxypropylamino)propan-2-ol
CID 102698045
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
1-(2-cyclopropylpropylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 115591833
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 61365174

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol (CID 61463680) is 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is CCCCC(CC)COCC(O)CNC(C)C(C)CC.
What is the InChIKey of 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
The InChIKey is RLGQLGOPWWJLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-6-9-10-16(8-3)12-20-13-17(19)11-18-15(5)14(4)7-2/h14-19H,6-13H2,1-5H3.
What are the key properties of 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol?
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol has a molecular weight of 287.49 g/mol, XLogP of 3.60, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61463680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).