1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol

C10H24N2O2 — CID 166786104

IUPAC1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OC(C)(O)NCCCCN
InChIInChI=1S/C10H24N2O2/c1-9(2,3)14-10(4,13)12-8-6-5-7-11/h12-13H,5-8,11H2,1-4H3
InChIKeyWSIIGFNSHLRSTM-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.80
Rot. Bonds6

About 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol

1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 166786104) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID166786104
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OC(C)(O)NCCCCN
InChIInChI=1S/C10H24N2O2/c1-9(2,3)14-10(4,13)12-8-6-5-7-11/h12-13H,5-8,11H2,1-4H3
InChIKeyWSIIGFNSHLRSTM-UHFFFAOYSA-N
XLogP0.80
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol (CID 166786104) is 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OC(C)(O)NCCCCN.
What is the InChIKey of 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is WSIIGFNSHLRSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-9(2,3)14-10(4,13)12-8-6-5-7-11/h12-13H,5-8,11H2,1-4H3.
What are the key properties of 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol?
1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 204.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutylamino)-1-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 166786104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).