4-[2-aminoethyl(methyl)amino]butan-2-ol

C7H18N2O — CID 86811494

IUPAC4-[2-aminoethyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCN
InChIInChI=1S/C7H18N2O/c1-7(10)3-5-9(2)6-4-8/h7,10H,3-6,8H2,1-2H3
InChIKeyMCQVCFQQAXXQQB-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.35
Rot. Bonds5

About 4-[2-aminoethyl(methyl)amino]butan-2-ol

4-[2-aminoethyl(methyl)amino]butan-2-ol (PubChem CID 86811494) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-[2-aminoethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[2-aminoethyl(methyl)amino]butan-2-ol
PubChem CID86811494
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-[2-aminoethyl(methyl)amino]butan-2-ol
SMILESCC(O)CCN(C)CCN
InChIInChI=1S/C7H18N2O/c1-7(10)3-5-9(2)6-4-8/h7,10H,3-6,8H2,1-2H3
InChIKeyMCQVCFQQAXXQQB-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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Related Compounds

4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
N'-hydroxy-4-[3-hydroxybutyl(methyl)amino]butanimidamide
CID 104869240
4-[methyl(2-propoxyethyl)amino]butan-2-ol
CID 106456260
4-[(3-hydroxy-2-methylpropyl)-methylamino]butan-2-ol
CID 115873167
4-[but-2-ynyl(methyl)amino]butan-2-ol
CID 115665847
4-[2-tert-butylsulfonylethyl(methyl)amino]butan-2-ol
CID 103710589
N-carbamoyl-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115665848
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657
1-[2-aminoethyl(methyl)amino]butan-2-ol
CID 62687204
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(methyl)amino]butan-2-ol?
The IUPAC name of 4-[2-aminoethyl(methyl)amino]butan-2-ol (CID 86811494) is 4-[2-aminoethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 4-[2-aminoethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 4-[2-aminoethyl(methyl)amino]butan-2-ol is CC(O)CCN(C)CCN.
What is the InChIKey of 4-[2-aminoethyl(methyl)amino]butan-2-ol?
The InChIKey is MCQVCFQQAXXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(10)3-5-9(2)6-4-8/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 4-[2-aminoethyl(methyl)amino]butan-2-ol?
4-[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 4-[2-aminoethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 86811494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).