2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol

C9H21NO — CID 79360801

IUPAC2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)N(C)CCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-8(2)10(5)7-6-9(3,4)11/h8,11H,6-7H2,1-5H3
InChIKeyMJKPHMIYUZYJLR-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds4

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

2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol (PubChem CID 79360801) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol
PubChem CID79360801
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol
SMILESCC(C)N(C)CCC(C)(C)O
InChIInChI=1S/C9H21NO/c1-8(2)10(5)7-6-9(3,4)11/h8,11H,6-7H2,1-5H3
InChIKeyMJKPHMIYUZYJLR-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol (CID 79360801) is 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol is CC(C)N(C)CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol?
The InChIKey is MJKPHMIYUZYJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)10(5)7-6-9(3,4)11/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol?
2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(propan-2-yl)amino]butan-2-ol is sourced from PubChem (CID 79360801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).