3,4-diamino-2,2,4-trimethylpentan-1-ol

C8H20N2O — CID 20528011

IUPAC3,4-diamino-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(N)C(N)C(C)(C)CO
InChIInChI=1S/C8H20N2O/c1-7(2,5-11)6(9)8(3,4)10/h6,11H,5,9-10H2,1-4H3
InChIKeyWYPIGFQQOOCDAO-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.07
Rot. Bonds3

About 3,4-diamino-2,2,4-trimethylpentan-1-ol

3,4-diamino-2,2,4-trimethylpentan-1-ol (PubChem CID 20528011) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3,4-diamino-2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name3,4-diamino-2,2,4-trimethylpentan-1-ol
PubChem CID20528011
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3,4-diamino-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(N)C(N)C(C)(C)CO
InChIInChI=1S/C8H20N2O/c1-7(2,5-11)6(9)8(3,4)10/h6,11H,5,9-10H2,1-4H3
InChIKeyWYPIGFQQOOCDAO-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2,2,4-trimethylpentan-1-ol?
The IUPAC name of 3,4-diamino-2,2,4-trimethylpentan-1-ol (CID 20528011) is 3,4-diamino-2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 3,4-diamino-2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 3,4-diamino-2,2,4-trimethylpentan-1-ol is CC(C)(N)C(N)C(C)(C)CO.
What is the InChIKey of 3,4-diamino-2,2,4-trimethylpentan-1-ol?
The InChIKey is WYPIGFQQOOCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(2,5-11)6(9)8(3,4)10/h6,11H,5,9-10H2,1-4H3.
What are the key properties of 3,4-diamino-2,2,4-trimethylpentan-1-ol?
3,4-diamino-2,2,4-trimethylpentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 20528011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).