1-(1-aminoethylamino)octan-3-ol

C10H24N2O — CID 140711659

IUPAC1-(1-aminoethylamino)octan-3-ol
SMILESCCCCCC(O)CCNC(C)N
InChIInChI=1S/C10H24N2O/c1-3-4-5-6-10(13)7-8-12-9(2)11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeySOPMXDASBZANSO-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.21
Rot. Bonds8

About 1-(1-aminoethylamino)octan-3-ol

1-(1-aminoethylamino)octan-3-ol (PubChem CID 140711659) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-(1-aminoethylamino)octan-3-ol.

Molecular Properties

Compound Name1-(1-aminoethylamino)octan-3-ol
PubChem CID140711659
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-(1-aminoethylamino)octan-3-ol
SMILESCCCCCC(O)CCNC(C)N
InChIInChI=1S/C10H24N2O/c1-3-4-5-6-10(13)7-8-12-9(2)11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeySOPMXDASBZANSO-UHFFFAOYSA-N
XLogP1.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-aminoethylamino)heptan-3-ol
CID 140711630
1-N'-pentylethane-1,1-diamine
CID 87708859
1-N'-nonylethane-1,1-diamine
CID 141374358
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)octan-3-ol?
The IUPAC name of 1-(1-aminoethylamino)octan-3-ol (CID 140711659) is 1-(1-aminoethylamino)octan-3-ol.
What is the SMILES notation for 1-(1-aminoethylamino)octan-3-ol?
The canonical SMILES for 1-(1-aminoethylamino)octan-3-ol is CCCCCC(O)CCNC(C)N.
What is the InChIKey of 1-(1-aminoethylamino)octan-3-ol?
The InChIKey is SOPMXDASBZANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-4-5-6-10(13)7-8-12-9(2)11/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 1-(1-aminoethylamino)octan-3-ol?
1-(1-aminoethylamino)octan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)octan-3-ol is sourced from PubChem (CID 140711659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).