1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol

C10H24N2O3 — CID 57035539

IUPAC1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(C(N)O)N(C(C)O)C(C)O
InChIInChI=1S/C10H24N2O3/c1-5-10(6-2,9(11)15)12(7(3)13)8(4)14/h7-9,13-15H,5-6,11H2,1-4H3
InChIKeyWQSIXRHTVPXWBE-UHFFFAOYSA-N
MW220.31 g/mol
LogP-0.20
Rot. Bonds6

About 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol

1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol (PubChem CID 57035539) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol
PubChem CID57035539
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(C(N)O)N(C(C)O)C(C)O
InChIInChI=1S/C10H24N2O3/c1-5-10(6-2,9(11)15)12(7(3)13)8(4)14/h7-9,13-15H,5-6,11H2,1-4H3
InChIKeyWQSIXRHTVPXWBE-UHFFFAOYSA-N
XLogP-0.20
TPSA89.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
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 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol (CID 57035539) is 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol is CCC(CC)(C(N)O)N(C(C)O)C(C)O.
What is the InChIKey of 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol?
The InChIKey is WQSIXRHTVPXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3/c1-5-10(6-2,9(11)15)12(7(3)13)8(4)14/h7-9,13-15H,5-6,11H2,1-4H3.
What are the key properties of 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol?
1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol has a molecular weight of 220.31 g/mol, XLogP of -0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[bis(1-hydroxyethyl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 57035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).