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

C7H20N4O — CID 19893038

IUPAC2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol
SMILESCC(C)(CN)C(N)(N)NCCO
InChIInChI=1S/C7H20N4O/c1-6(2,5-8)7(9,10)11-3-4-12/h11-12H,3-5,8-10H2,1-2H3
InChIKeyJERVQPHDHXTEQZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.88
Rot. Bonds5

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

2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol (PubChem CID 19893038) has the molecular formula C7H20N4O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol
PubChem CID19893038
Molecular FormulaC7H20N4O
Molecular Weight176.26 g/mol
Exact Mass176.16
IUPAC Name2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol
SMILESCC(C)(CN)C(N)(N)NCCO
InChIInChI=1S/C7H20N4O/c1-6(2,5-8)7(9,10)11-3-4-12/h11-12H,3-5,8-10H2,1-2H3
InChIKeyJERVQPHDHXTEQZ-UHFFFAOYSA-N
XLogP-1.88
TPSA110.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol?
The IUPAC name of 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol (CID 19893038) is 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol.
What is the SMILES notation for 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol?
The canonical SMILES for 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol is CC(C)(CN)C(N)(N)NCCO.
What is the InChIKey of 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol?
The InChIKey is JERVQPHDHXTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4O/c1-6(2,5-8)7(9,10)11-3-4-12/h11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol?
2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol has a molecular weight of 176.26 g/mol, XLogP of -1.88, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1,3-triamino-2,2-dimethylpropyl)amino]ethanol is sourced from PubChem (CID 19893038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).