[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol

C10H24N2O4 — CID 141490751

IUPAC[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol
SMILESOCN(CO)CCCCCCN(CO)CO
InChIInChI=1S/C10H24N2O4/c13-7-11(8-14)5-3-1-2-4-6-12(9-15)10-16/h13-16H,1-10H2
InChIKeyBOQBWUUPNFNMBQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP-1.05
Rot. Bonds11

About [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol

[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol (PubChem CID 141490751) has the molecular formula C10H24N2O4 and a molecular weight of 236.31 g/mol. Its IUPAC name is [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol.

Molecular Properties

Compound Name[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol
PubChem CID141490751
Molecular FormulaC10H24N2O4
Molecular Weight236.31 g/mol
Exact Mass236.17
IUPAC Name[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol
SMILESOCN(CO)CCCCCCN(CO)CO
InChIInChI=1S/C10H24N2O4/c13-7-11(8-14)5-3-1-2-4-6-12(9-15)10-16/h13-16H,1-10H2
InChIKeyBOQBWUUPNFNMBQ-UHFFFAOYSA-N
XLogP-1.05
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol?
The IUPAC name of [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol (CID 141490751) is [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol.
What is the SMILES notation for [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol?
The canonical SMILES for [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol is OCN(CO)CCCCCCN(CO)CO.
What is the InChIKey of [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol?
The InChIKey is BOQBWUUPNFNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O4/c13-7-11(8-14)5-3-1-2-4-6-12(9-15)10-16/h13-16H,1-10H2.
What are the key properties of [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol?
[6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol has a molecular weight of 236.31 g/mol, XLogP of -1.05, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis(hydroxymethyl)amino]hexyl-(hydroxymethyl)amino]methanol is sourced from PubChem (CID 141490751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).