1-[2-aminoethyl(methyl)amino]butan-2-ol

C7H18N2O — CID 62687204

IUPAC1-[2-aminoethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCN
InChIInChI=1S/C7H18N2O/c1-3-7(10)6-9(2)5-4-8/h7,10H,3-6,8H2,1-2H3
InChIKeyWJDMGWBUKFXGTM-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds5

About 1-[2-aminoethyl(methyl)amino]butan-2-ol

1-[2-aminoethyl(methyl)amino]butan-2-ol (PubChem CID 62687204) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-[2-aminoethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-aminoethyl(methyl)amino]butan-2-ol
PubChem CID62687204
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1-[2-aminoethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CCN
InChIInChI=1S/C7H18N2O/c1-3-7(10)6-9(2)5-4-8/h7,10H,3-6,8H2,1-2H3
InChIKeyWJDMGWBUKFXGTM-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-aminoethyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[2-aminoethyl(methyl)amino]butan-2-ol (CID 62687204) is 1-[2-aminoethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[2-aminoethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[2-aminoethyl(methyl)amino]butan-2-ol is CCC(O)CN(C)CCN.
What is the InChIKey of 1-[2-aminoethyl(methyl)amino]butan-2-ol?
The InChIKey is WJDMGWBUKFXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-7(10)6-9(2)5-4-8/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-aminoethyl(methyl)amino]butan-2-ol?
1-[2-aminoethyl(methyl)amino]butan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-aminoethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 62687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).