4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol

C10H24N2O — CID 79361238

IUPAC4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
SMILESCC(CCN)N(C)CCC(C)(C)O
InChIInChI=1S/C10H24N2O/c1-9(5-7-11)12(4)8-6-10(2,3)13/h9,13H,5-8,11H2,1-4H3
InChIKeyJIKJCEPKDVOQSQ-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds6

About 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol

4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol (PubChem CID 79361238) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
PubChem CID79361238
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
SMILESCC(CCN)N(C)CCC(C)(C)O
InChIInChI=1S/C10H24N2O/c1-9(5-7-11)12(4)8-6-10(2,3)13/h9,13H,5-8,11H2,1-4H3
InChIKeyJIKJCEPKDVOQSQ-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol (CID 79361238) is 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol is CC(CCN)N(C)CCC(C)(C)O.
What is the InChIKey of 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol?
The InChIKey is JIKJCEPKDVOQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(5-7-11)12(4)8-6-10(2,3)13/h9,13H,5-8,11H2,1-4H3.
What are the key properties of 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol?
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 79361238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).