4,4-dimethyl-1-(methylamino)pentan-3-ol

C8H19NO — CID 83635351

IUPAC4,4-dimethyl-1-(methylamino)pentan-3-ol
SMILESCNCCC(O)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(10)5-6-9-4/h7,9-10H,5-6H2,1-4H3
InChIKeyLPILLGPESXNRKF-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds3

About 4,4-dimethyl-1-(methylamino)pentan-3-ol

4,4-dimethyl-1-(methylamino)pentan-3-ol (PubChem CID 83635351) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4,4-dimethyl-1-(methylamino)pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(methylamino)pentan-3-ol
PubChem CID83635351
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4,4-dimethyl-1-(methylamino)pentan-3-ol
SMILESCNCCC(O)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(10)5-6-9-4/h7,9-10H,5-6H2,1-4H3
InChIKeyLPILLGPESXNRKF-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(methylamino)pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(methylamino)pentan-3-ol (CID 83635351) is 4,4-dimethyl-1-(methylamino)pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(methylamino)pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(methylamino)pentan-3-ol is CNCCC(O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(methylamino)pentan-3-ol?
The InChIKey is LPILLGPESXNRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)7(10)5-6-9-4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(methylamino)pentan-3-ol?
4,4-dimethyl-1-(methylamino)pentan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(methylamino)pentan-3-ol is sourced from PubChem (CID 83635351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).