5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol

C14H32N2O3 — CID 56611362

IUPAC5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol
SMILESNCCCC(CO)CCOCCC(CO)CCCN
InChIInChI=1S/C14H32N2O3/c15-7-1-3-13(11-17)5-9-19-10-6-14(12-18)4-2-8-16/h13-14,17-18H,1-12,15-16H2
InChIKeyPPGCMDJAIWAIND-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.48
Rot. Bonds14

About 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol

5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol (PubChem CID 56611362) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol.

Molecular Properties

Compound Name5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol
PubChem CID56611362
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol
SMILESNCCCC(CO)CCOCCC(CO)CCCN
InChIInChI=1S/C14H32N2O3/c15-7-1-3-13(11-17)5-9-19-10-6-14(12-18)4-2-8-16/h13-14,17-18H,1-12,15-16H2
InChIKeyPPGCMDJAIWAIND-UHFFFAOYSA-N
XLogP0.48
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-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

5-ethoxy-2-(2-ethoxyethyl)pentan-1-ol
CID 121218996
6-amino-2-(methoxymethyl)hexan-1-ol;ethane
CID 142287237
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
CID 104568624
1-amino-7-(7-amino-4-hydroxyheptoxy)heptan-4-ol
CID 57181303
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185077
2-(2-aminoethoxymethyl)propane-1,3-diol
CID 118527110
2-(4-butoxybutyl)propane-1,3-diol
CID 168858104
3-[5-(3-aminopropoxy)-3-methylpentoxy]propan-1-amine
CID 6454523
5-amino-1-(2-hydroxyethoxy)pentan-2-ol
CID 21493098
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
2-(aminomethyl)-4-methoxybutan-1-ol
CID 63216338
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol?
The IUPAC name of 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol (CID 56611362) is 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol.
What is the SMILES notation for 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol?
The canonical SMILES for 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol is NCCCC(CO)CCOCCC(CO)CCCN.
What is the InChIKey of 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol?
The InChIKey is PPGCMDJAIWAIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c15-7-1-3-13(11-17)5-9-19-10-6-14(12-18)4-2-8-16/h13-14,17-18H,1-12,15-16H2.
What are the key properties of 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol?
5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 0.48, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[6-amino-3-(hydroxymethyl)hexoxy]ethyl]pentan-1-ol is sourced from PubChem (CID 56611362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).