2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol

C9H21NO — CID 10844688

IUPAC2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol
SMILESCN(C)CC(CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyWLYAGBKQOBOVQO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.20
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol

2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol (PubChem CID 10844688) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol
PubChem CID10844688
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol
SMILESCN(C)CC(CO)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3
InChIKeyWLYAGBKQOBOVQO-UHFFFAOYSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol (CID 10844688) is 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol is CN(C)CC(CO)C(C)(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol?
The InChIKey is WLYAGBKQOBOVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)8(7-11)6-10(4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol?
2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 10844688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).