1,6-diamino-4,4-dimethylhexan-2-ol

C8H20N2O — CID 18683532

IUPAC1,6-diamino-4,4-dimethylhexan-2-ol
SMILESCC(C)(CCN)CC(O)CN
InChIInChI=1S/C8H20N2O/c1-8(2,3-4-9)5-7(11)6-10/h7,11H,3-6,9-10H2,1-2H3
InChIKeyJAZCALYNWGQKLN-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.07
Rot. Bonds5

About 1,6-diamino-4,4-dimethylhexan-2-ol

1,6-diamino-4,4-dimethylhexan-2-ol (PubChem CID 18683532) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,6-diamino-4,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name1,6-diamino-4,4-dimethylhexan-2-ol
PubChem CID18683532
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1,6-diamino-4,4-dimethylhexan-2-ol
SMILESCC(C)(CCN)CC(O)CN
InChIInChI=1S/C8H20N2O/c1-8(2,3-4-9)5-7(11)6-10/h7,11H,3-6,9-10H2,1-2H3
InChIKeyJAZCALYNWGQKLN-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,6-diamino-4,4-dimethylhexan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-Amino-4,4-dimethylpentan-2-ol
CID 15633615
1-Amino-3,4-dimethyl-hexan-2-ol
CID 44272310
1-Amino-5-methylhexan-2-ol
CID 53735145
1-Amino-4,5,5-trimethylhexane-2,4-diol
CID 12237105
2,2-Bis(3-aminopropyl)propane-1,3-diol
CID 19028416
Azane;2-ethylhexan-1-amine;hexan-2-ol
CID 20363359
2-(Aminomethyl)-2-ethylpentan-1-ol
CID 20461811
4-Amino-2-methyl-2-propylbutane-1,3-diol
CID 21429715
4-Amino-2-methyl-2-(2-methylpropyl)butane-1,3-diol
CID 21429718
4-Amino-2-butyl-2-methylbutane-1,3-diol
CID 21429719
2-Amino-3,3-dimethylhexan-1-ol
CID 22218791
2-(3-Aminopropyl)-2-ethylhexan-1-ol
CID 22280221

Frequently Asked Questions

What is the IUPAC name of 1,6-diamino-4,4-dimethylhexan-2-ol?
The IUPAC name of 1,6-diamino-4,4-dimethylhexan-2-ol (CID 18683532) is 1,6-diamino-4,4-dimethylhexan-2-ol.
What is the SMILES notation for 1,6-diamino-4,4-dimethylhexan-2-ol?
The canonical SMILES for 1,6-diamino-4,4-dimethylhexan-2-ol is CC(C)(CCN)CC(O)CN.
What is the InChIKey of 1,6-diamino-4,4-dimethylhexan-2-ol?
The InChIKey is JAZCALYNWGQKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,3-4-9)5-7(11)6-10/h7,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1,6-diamino-4,4-dimethylhexan-2-ol?
1,6-diamino-4,4-dimethylhexan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diamino-4,4-dimethylhexan-2-ol is sourced from PubChem (CID 18683532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).