5,5-dimethyl-3-(methylamino)hexan-1-ol

C9H21NO — CID 65234930

IUPAC5,5-dimethyl-3-(methylamino)hexan-1-ol
SMILESCNC(CCO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)7-8(10-4)5-6-11/h8,10-11H,5-7H2,1-4H3
InChIKeyMYXBDXHGBNHRBP-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 5,5-dimethyl-3-(methylamino)hexan-1-ol

5,5-dimethyl-3-(methylamino)hexan-1-ol (PubChem CID 65234930) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-3-(methylamino)hexan-1-ol
PubChem CID65234930
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5,5-dimethyl-3-(methylamino)hexan-1-ol
SMILESCNC(CCO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)7-8(10-4)5-6-11/h8,10-11H,5-7H2,1-4H3
InChIKeyMYXBDXHGBNHRBP-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-3-(methylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(methylamino)hexan-1-ol?
The IUPAC name of 5,5-dimethyl-3-(methylamino)hexan-1-ol (CID 65234930) is 5,5-dimethyl-3-(methylamino)hexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-3-(methylamino)hexan-1-ol?
The canonical SMILES for 5,5-dimethyl-3-(methylamino)hexan-1-ol is CNC(CCO)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-(methylamino)hexan-1-ol?
The InChIKey is MYXBDXHGBNHRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)7-8(10-4)5-6-11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-3-(methylamino)hexan-1-ol?
5,5-dimethyl-3-(methylamino)hexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(methylamino)hexan-1-ol is sourced from PubChem (CID 65234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).