4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol

C14H32N2O4 — CID 19367355

IUPAC4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol
SMILESNC(CCCO)(CCCO)C(N)(CCCO)CCCO
InChIInChI=1S/C14H32N2O4/c15-13(5-1-9-17,6-2-10-18)14(16,7-3-11-19)8-4-12-20/h17-20H,1-12,15-16H2
InChIKeyIQBHQDHMSKUFSX-UHFFFAOYSA-N
MW292.42 g/mol
LogP-0.53
Rot. Bonds13

About 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol

4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol (PubChem CID 19367355) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol.

Molecular Properties

Compound Name4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol
PubChem CID19367355
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Name4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol
SMILESNC(CCCO)(CCCO)C(N)(CCCO)CCCO
InChIInChI=1S/C14H32N2O4/c15-13(5-1-9-17,6-2-10-18)14(16,7-3-11-19)8-4-12-20/h17-20H,1-12,15-16H2
InChIKeyIQBHQDHMSKUFSX-UHFFFAOYSA-N
XLogP-0.53
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol?
The IUPAC name of 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol (CID 19367355) is 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol.
What is the SMILES notation for 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol?
The canonical SMILES for 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol is NC(CCCO)(CCCO)C(N)(CCCO)CCCO.
What is the InChIKey of 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol?
The InChIKey is IQBHQDHMSKUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O4/c15-13(5-1-9-17,6-2-10-18)14(16,7-3-11-19)8-4-12-20/h17-20H,1-12,15-16H2.
What are the key properties of 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol?
4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol has a molecular weight of 292.42 g/mol, XLogP of -0.53, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-4,5-bis(3-hydroxypropyl)octane-1,8-diol is sourced from PubChem (CID 19367355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).