2,2-dimethyl-4-(methylamino)butan-1-ol

C7H17NO — CID 20662413

IUPAC2,2-dimethyl-4-(methylamino)butan-1-ol
SMILESCNCCC(C)(C)CO
InChIInChI=1S/C7H17NO/c1-7(2,6-9)4-5-8-3/h8-9H,4-6H2,1-3H3
InChIKeyDEJARBPGPZTGTE-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds4

About 2,2-dimethyl-4-(methylamino)butan-1-ol

2,2-dimethyl-4-(methylamino)butan-1-ol (PubChem CID 20662413) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2,2-dimethyl-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(methylamino)butan-1-ol
PubChem CID20662413
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2,2-dimethyl-4-(methylamino)butan-1-ol
SMILESCNCCC(C)(C)CO
InChIInChI=1S/C7H17NO/c1-7(2,6-9)4-5-8-3/h8-9H,4-6H2,1-3H3
InChIKeyDEJARBPGPZTGTE-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(methylamino)butan-1-ol?
The IUPAC name of 2,2-dimethyl-4-(methylamino)butan-1-ol (CID 20662413) is 2,2-dimethyl-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-4-(methylamino)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-4-(methylamino)butan-1-ol is CNCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-4-(methylamino)butan-1-ol?
The InChIKey is DEJARBPGPZTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,6-9)4-5-8-3/h8-9H,4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(methylamino)butan-1-ol?
2,2-dimethyl-4-(methylamino)butan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(methylamino)butan-1-ol is sourced from PubChem (CID 20662413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).