2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol

C8H22N4O2 — CID 174219039

IUPAC2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
SMILESCC(CC(N)N)(CC(N)N)OCCO
InChIInChI=1S/C8H22N4O2/c1-8(4-6(9)10,5-7(11)12)14-3-2-13/h6-7,13H,2-5,9-12H2,1H3
InChIKeyFVDAGCWESFAWHP-UHFFFAOYSA-N
MW206.29 g/mol
LogP-1.98
Rot. Bonds7

About 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol

2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol (PubChem CID 174219039) has the molecular formula C8H22N4O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
PubChem CID174219039
Molecular FormulaC8H22N4O2
Molecular Weight206.29 g/mol
Exact Mass206.17
IUPAC Name2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol
SMILESCC(CC(N)N)(CC(N)N)OCCO
InChIInChI=1S/C8H22N4O2/c1-8(4-6(9)10,5-7(11)12)14-3-2-13/h6-7,13H,2-5,9-12H2,1H3
InChIKeyFVDAGCWESFAWHP-UHFFFAOYSA-N
XLogP-1.98
TPSA133.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
4-(2-hydroxyethoxy)-2,4-dimethylhexane-1,5-diol
CID 88610757
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
2-(4,7-dimethyloctan-4-yloxy)ethanol
CID 142712645
2-(2,2,3,4-tetramethylpentan-3-yloxy)ethanol
CID 142712384
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
CID 165493841
3-(2-hydroxyethoxy)pentan-3-ol
CID 150775227
acetic acid;2-(1,1-diaminoethoxy)ethanol
CID 173101574
2-(2,3-dimethyloctan-3-yloxy)ethanol
CID 142712610

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol?
The IUPAC name of 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol (CID 174219039) is 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol.
What is the SMILES notation for 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol?
The canonical SMILES for 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol is CC(CC(N)N)(CC(N)N)OCCO.
What is the InChIKey of 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol?
The InChIKey is FVDAGCWESFAWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4O2/c1-8(4-6(9)10,5-7(11)12)14-3-2-13/h6-7,13H,2-5,9-12H2,1H3.
What are the key properties of 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol?
2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol has a molecular weight of 206.29 g/mol, XLogP of -1.98, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,5,5-tetraamino-3-methylpentan-3-yl)oxyethanol is sourced from PubChem (CID 174219039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).