1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol

C11H26N2O3 — CID 18720683

IUPAC1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
SMILESCC(C)OCC(C)OCCC(O)NCCN
InChIInChI=1S/C11H26N2O3/c1-9(2)16-8-10(3)15-7-4-11(14)13-6-5-12/h9-11,13-14H,4-8,12H2,1-3H3
InChIKeyMECXLFYBSQHIAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.07
Rot. Bonds10

About 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol

1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol (PubChem CID 18720683) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
PubChem CID18720683
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
SMILESCC(C)OCC(C)OCCC(O)NCCN
InChIInChI=1S/C11H26N2O3/c1-9(2)16-8-10(3)15-7-4-11(14)13-6-5-12/h9-11,13-14H,4-8,12H2,1-3H3
InChIKeyMECXLFYBSQHIAY-UHFFFAOYSA-N
XLogP0.07
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethylamino)-1-ethoxypropan-1-ol;1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol
CID 91078542
1-(2-aminoethylamino)-3-methylhexan-1-ol
CID 89007637
(1S)-1-(2-aminoethylamino)propane-1,2-diol
CID 174340502
(1R,4S)-4-methyl-1-(2-methylpropylamino)-7-propan-2-yloxyheptan-1-ol
CID 149384579
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanamide
CID 103489985
methyl 4-(1-ethoxypropan-2-yloxy)-2-(propylamino)butanoate
CID 103489984
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906
2-propan-2-yloxyethanamine
CID 533866
3-amino-1-(hexylamino)propan-1-ol
CID 174419599

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol?
The IUPAC name of 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol (CID 18720683) is 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol.
What is the SMILES notation for 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol?
The canonical SMILES for 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol is CC(C)OCC(C)OCCC(O)NCCN.
What is the InChIKey of 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol?
The InChIKey is MECXLFYBSQHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-9(2)16-8-10(3)15-7-4-11(14)13-6-5-12/h9-11,13-14H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol?
1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-3-(1-propan-2-yloxypropan-2-yloxy)propan-1-ol is sourced from PubChem (CID 18720683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).