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

C13H29NO — CID 62266178

IUPAC2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN(C)C(C)CC(C)C
InChIInChI=1S/C13H29NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h11-12,15H,7-10H2,1-6H3
InChIKeyAUMXVDKKHFWWEO-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.76
Rot. Bonds7

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

2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol (PubChem CID 62266178) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
PubChem CID62266178
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN(C)C(C)CC(C)C
InChIInChI=1S/C13H29NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h11-12,15H,7-10H2,1-6H3
InChIKeyAUMXVDKKHFWWEO-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol (CID 62266178) is 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol is CCC(C)(CO)CN(C)C(C)CC(C)C.
What is the InChIKey of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol?
The InChIKey is AUMXVDKKHFWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-13(5,10-15)9-14(6)12(4)8-11(2)3/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol?
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 62266178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).