2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol

C12H26N2O2 — CID 64798141

IUPAC2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCNC(C)(CO)CCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(10-15,13-2)6-7-14(3)11-4-8-16-9-5-11/h11,13,15H,4-10H2,1-3H3
InChIKeyUIULNUREJOEKIL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol

2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol (PubChem CID 64798141) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
PubChem CID64798141
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCNC(C)(CO)CCN(C)C1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(10-15,13-2)6-7-14(3)11-4-8-16-9-5-11/h11,13,15H,4-10H2,1-3H3
InChIKeyUIULNUREJOEKIL-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol (CID 64798141) is 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol is CNC(C)(CO)CCN(C)C1CCOCC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol?
The InChIKey is UIULNUREJOEKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(10-15,13-2)6-7-14(3)11-4-8-16-9-5-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol?
2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 64798141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).