1-(6-aminohexylamino)-3-ethoxypropan-2-ol

C11H26N2O2 — CID 89417242

IUPAC1-(6-aminohexylamino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCCCCCN
InChIInChI=1S/C11H26N2O2/c1-2-15-10-11(14)9-13-8-6-4-3-5-7-12/h11,13-14H,2-10,12H2,1H3
InChIKeyNEFWUBITEGDRFP-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.49
Rot. Bonds11

About 1-(6-aminohexylamino)-3-ethoxypropan-2-ol

1-(6-aminohexylamino)-3-ethoxypropan-2-ol (PubChem CID 89417242) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(6-aminohexylamino)-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-(6-aminohexylamino)-3-ethoxypropan-2-ol
PubChem CID89417242
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-(6-aminohexylamino)-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCCCCCCN
InChIInChI=1S/C11H26N2O2/c1-2-15-10-11(14)9-13-8-6-4-3-5-7-12/h11,13-14H,2-10,12H2,1H3
InChIKeyNEFWUBITEGDRFP-UHFFFAOYSA-N
XLogP0.49
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.49
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

GlyTouCan:G89581YY
CID 648844
3-(Octylamino)propane-1,2-diol
CID 20350196
(+/-)-3-(Nonylamino)-1,2-propanediol
CID 66170994
Diethylene glycol, amino, N-hexyl
CID 523993
[2-Hydroxy-3-(propan-2-yloxy)propyl](methyl)amine
CID 23008378
1-(2-Aminoethylamino)-3-hexoxy-propan-2-ol
CID 258864
3,14-Dioxa-7,10-diazahexadecane-5,12-diol
CID 258867
1-(Tert-butoxy)-3-(cyclohexylamino)propan-2-ol hydrochloride
CID 18593267
3-(Hexylamino)-1,2-propanediol
CID 12820573
3-(Decylamino)propane-1,2-diol
CID 12820574
n,n'-Bis(2-hydroxypropyl)hexamethylenediamine
CID 17979936
2-Hydroxy-3-isopropylaminopropyl ether
CID 56635909

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexylamino)-3-ethoxypropan-2-ol?
The IUPAC name of 1-(6-aminohexylamino)-3-ethoxypropan-2-ol (CID 89417242) is 1-(6-aminohexylamino)-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-(6-aminohexylamino)-3-ethoxypropan-2-ol?
The canonical SMILES for 1-(6-aminohexylamino)-3-ethoxypropan-2-ol is CCOCC(O)CNCCCCCCN.
What is the InChIKey of 1-(6-aminohexylamino)-3-ethoxypropan-2-ol?
The InChIKey is NEFWUBITEGDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-2-15-10-11(14)9-13-8-6-4-3-5-7-12/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 1-(6-aminohexylamino)-3-ethoxypropan-2-ol?
1-(6-aminohexylamino)-3-ethoxypropan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.49, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexylamino)-3-ethoxypropan-2-ol is sourced from PubChem (CID 89417242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).