1-[2-(dimethylamino)ethylamino]butan-2-ol

C8H20N2O — CID 60886216

IUPAC1-[2-(dimethylamino)ethylamino]butan-2-ol
SMILESCCC(O)CNCCN(C)C
InChIInChI=1S/C8H20N2O/c1-4-8(11)7-9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyMOYZCDHUXAJLHL-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.09
Rot. Bonds6

About 1-[2-(dimethylamino)ethylamino]butan-2-ol

1-[2-(dimethylamino)ethylamino]butan-2-ol (PubChem CID 60886216) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylamino]butan-2-ol
PubChem CID60886216
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-[2-(dimethylamino)ethylamino]butan-2-ol
SMILESCCC(O)CNCCN(C)C
InChIInChI=1S/C8H20N2O/c1-4-8(11)7-9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyMOYZCDHUXAJLHL-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]butan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethylamino]butan-2-ol (CID 60886216) is 1-[2-(dimethylamino)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]butan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethylamino]butan-2-ol is CCC(O)CNCCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethylamino]butan-2-ol?
The InChIKey is MOYZCDHUXAJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-8(11)7-9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethylamino]butan-2-ol?
1-[2-(dimethylamino)ethylamino]butan-2-ol has a molecular weight of 160.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylamino]butan-2-ol is sourced from PubChem (CID 60886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).