2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol

C11H26N2O — CID 64827204

IUPAC2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
SMILESCNC(CO)CCN(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)5-7-13(4)8-6-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3
InChIKeyIUZJYRIHZVDMGN-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.93
Rot. Bonds8

About 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol

2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol (PubChem CID 64827204) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
PubChem CID64827204
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol
SMILESCNC(CO)CCN(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)5-7-13(4)8-6-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3
InChIKeyIUZJYRIHZVDMGN-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The IUPAC name of 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol (CID 64827204) is 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol is CNC(CO)CCN(C)CCC(C)C.
What is the InChIKey of 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol?
The InChIKey is IUZJYRIHZVDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)5-7-13(4)8-6-11(9-14)12-3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol?
2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(3-methylbutyl)amino]butan-1-ol is sourced from PubChem (CID 64827204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).