1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol

C17H35NO2 — CID 61365174

IUPAC1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1(C)CCCC1
InChIInChI=1S/C17H35NO2/c1-4-6-9-15(5-2)13-20-14-16(19)12-18-17(3)10-7-8-11-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyDWCDMDWSQUHEMG-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.50
Rot. Bonds11

About 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol

1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol (PubChem CID 61365174) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
PubChem CID61365174
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol
SMILESCCCCC(CC)COCC(O)CNC1(C)CCCC1
InChIInChI=1S/C17H35NO2/c1-4-6-9-15(5-2)13-20-14-16(19)12-18-17(3)10-7-8-11-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyDWCDMDWSQUHEMG-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylhexyl)-1-methylcyclopentan-1-amine
CID 63492911
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
CID 103581424
CID 88753128
CID 88753128
1-(2-ethylhexoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463680
(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-(2-methoxypropylamino)propan-2-ol
CID 102698045
3-[[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66004855
methyl 2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]acetate
CID 60902673
1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol (CID 61365174) is 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol is CCCCC(CC)COCC(O)CNC1(C)CCCC1.
What is the InChIKey of 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is DWCDMDWSQUHEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-6-9-15(5-2)13-20-14-16(19)12-18-17(3)10-7-8-11-17/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol?
1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-3-[(1-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 61365174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).