1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol

C14H34N4O2 — CID 15689279

IUPAC1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol
SMILESNCC(O)CNCCCCCCCCNCC(O)CN
InChIInChI=1S/C14H34N4O2/c15-9-13(19)11-17-7-5-3-1-2-4-6-8-18-12-14(20)10-16/h13-14,17-20H,1-12,15-16H2
InChIKeyVYACBFOHRYDHRR-UHFFFAOYSA-N
MW290.45 g/mol
LogP-0.85
Rot. Bonds15

About 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol

1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol (PubChem CID 15689279) has the molecular formula C14H34N4O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol
PubChem CID15689279
Molecular FormulaC14H34N4O2
Molecular Weight290.45 g/mol
Exact Mass290.27
IUPAC Name1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol
SMILESNCC(O)CNCCCCCCCCNCC(O)CN
InChIInChI=1S/C14H34N4O2/c15-9-13(19)11-17-7-5-3-1-2-4-6-8-18-12-14(20)10-16/h13-14,17-20H,1-12,15-16H2
InChIKeyVYACBFOHRYDHRR-UHFFFAOYSA-N
XLogP-0.85
TPSA116.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 5-0.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
(2R)-1-(ethylamino)-3-[3-[[(2R)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10740890
1-Amino-3-[7-[(3-amino-2-hydroxypropyl)amino]heptylamino]propan-2-ol
CID 15689280
1-[7-[[2-Hydroxy-3-(methylamino)propyl]amino]heptylamino]-3-(methylamino)propan-2-ol
CID 44317550
1-(Dodecylamino)propan-2-ol
CID 3016248
Ro 31-4639
CID 130369
n,n'-Bis(2-hydroxypropyl)hexamethylenediamine
CID 17979936
1-Dodecylamino-2-propanol hydrochloride
CID 129698513
2-Propanol, 1-amino-3-(hexadecylamino)-
CID 300721
1,4,7,10-Tetraazacyclododecane-1-ethanol, I+/--[(didodecylamino)methyl]-
CID 11828012
1-(Octadecylamino)propan-2-ol
CID 130370
1-(Tridecylamino)propan-2-ol
CID 277028

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol (CID 15689279) is 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol is NCC(O)CNCCCCCCCCNCC(O)CN.
What is the InChIKey of 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol?
The InChIKey is VYACBFOHRYDHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4O2/c15-9-13(19)11-17-7-5-3-1-2-4-6-8-18-12-14(20)10-16/h13-14,17-20H,1-12,15-16H2.
What are the key properties of 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol?
1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol has a molecular weight of 290.45 g/mol, XLogP of -0.85, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[8-[(3-amino-2-hydroxypropyl)amino]octylamino]propan-2-ol is sourced from PubChem (CID 15689279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).