2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol

C9H24N4O2 — CID 19893042

IUPAC2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
SMILESCC(C)(CN)C(N)(NCCO)NCCO
InChIInChI=1S/C9H24N4O2/c1-8(2,7-10)9(11,12-3-5-14)13-4-6-15/h12-15H,3-7,10-11H2,1-2H3
InChIKeyDHNLDUXDBIQHTE-UHFFFAOYSA-N
MW220.32 g/mol
LogP-2.25
Rot. Bonds8

About 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol

2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol (PubChem CID 19893042) has the molecular formula C9H24N4O2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
PubChem CID19893042
Molecular FormulaC9H24N4O2
Molecular Weight220.32 g/mol
Exact Mass220.19
IUPAC Name2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
SMILESCC(C)(CN)C(N)(NCCO)NCCO
InChIInChI=1S/C9H24N4O2/c1-8(2,7-10)9(11,12-3-5-14)13-4-6-15/h12-15H,3-7,10-11H2,1-2H3
InChIKeyDHNLDUXDBIQHTE-UHFFFAOYSA-N
XLogP-2.25
TPSA116.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.32
LogP ≤ 5-2.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol?
The IUPAC name of 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol (CID 19893042) is 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol?
The canonical SMILES for 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol is CC(C)(CN)C(N)(NCCO)NCCO.
What is the InChIKey of 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol?
The InChIKey is DHNLDUXDBIQHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4O2/c1-8(2,7-10)9(11,12-3-5-14)13-4-6-15/h12-15H,3-7,10-11H2,1-2H3.
What are the key properties of 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol?
2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol has a molecular weight of 220.32 g/mol, XLogP of -2.25, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol is sourced from PubChem (CID 19893042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).