2-[(dimethylamino)methyl]-2-methylbutan-1-ol

C8H19NO — CID 62270560

IUPAC2-[(dimethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)C
InChIInChI=1S/C8H19NO/c1-5-8(2,7-10)6-9(3)4/h10H,5-7H2,1-4H3
InChIKeyPCEQLONTSIYDAO-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.96
Rot. Bonds4

About 2-[(dimethylamino)methyl]-2-methylbutan-1-ol

2-[(dimethylamino)methyl]-2-methylbutan-1-ol (PubChem CID 62270560) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-methylbutan-1-ol
PubChem CID62270560
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-[(dimethylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)C
InChIInChI=1S/C8H19NO/c1-5-8(2,7-10)6-9(3)4/h10H,5-7H2,1-4H3
InChIKeyPCEQLONTSIYDAO-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-2-methylbutan-1-ol (CID 62270560) is 2-[(dimethylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is PCEQLONTSIYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-8(2,7-10)6-9(3)4/h10H,5-7H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-2-methylbutan-1-ol?
2-[(dimethylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 62270560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).