2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol

C11H26N2O2 — CID 16727456

IUPAC2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol
SMILESCCOCC(CC)NCCNC(C)CO
InChIInChI=1S/C11H26N2O2/c1-4-11(9-15-5-2)13-7-6-12-10(3)8-14/h10-14H,4-9H2,1-3H3
InChIKeyIPSAHACPHSVGTK-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.36
Rot. Bonds10

About 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol

2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol (PubChem CID 16727456) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol
PubChem CID16727456
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol
SMILESCCOCC(CC)NCCNC(C)CO
InChIInChI=1S/C11H26N2O2/c1-4-11(9-15-5-2)13-7-6-12-10(3)8-14/h10-14H,4-9H2,1-3H3
InChIKeyIPSAHACPHSVGTK-UHFFFAOYSA-N
XLogP0.36
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethambutol
CID 14052
Ethambutol Hydrochloride
CID 14051
(2R)-2-[(2-{[(2R)-1-Hdroxybutan-2-yl]amino}ethyl)amino]butan-1-ol dihydrochloride
CID 3279
Ethambutol, meso-
CID 470072
Ethambutol, (R,R)-
CID 470071
(2R,2'R)-2,2'-(ethane-1,2-diylbis(azanediyl))bis(butan-1-ol) hydrochloride
CID 6852402
(2S)-2-[(2-{[(1S)-2-hydroxy-1-(methylethyl)ethyl]amino}ethyl)amino]-3-methylbutan-1-ol
CID 486264
(2S)-2-((2-(((2S)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 9990101
2,2'-(Ethylenediimino)dibutanol dihydrochloride
CID 470087
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;hydrochloride
CID 16051971
(S)-2-((2-(((R)-1-Hydroxypropan-2-yl)amino)ethyl)amino)butan-1-ol
CID 44291041
1-Butanol, 2,2'-(propylenediimino)di-
CID 469930

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol?
The IUPAC name of 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol (CID 16727456) is 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol.
What is the SMILES notation for 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol?
The canonical SMILES for 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol is CCOCC(CC)NCCNC(C)CO.
What is the InChIKey of 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol?
The InChIKey is IPSAHACPHSVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-4-11(9-15-5-2)13-7-6-12-10(3)8-14/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol?
2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxybutan-2-ylamino)ethylamino]propan-1-ol is sourced from PubChem (CID 16727456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).