3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol

C13H30N2O2 — CID 166838894

IUPAC3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol
SMILESCCC(COC(C)(C)CC(N)CN)C(C)(C)O
InChIInChI=1S/C13H30N2O2/c1-6-10(13(4,5)16)9-17-12(2,3)7-11(15)8-14/h10-11,16H,6-9,14-15H2,1-5H3
InChIKeyJCOHWIDXAYIUHN-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.25
Rot. Bonds8

About 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol

3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol (PubChem CID 166838894) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol.

Molecular Properties

Compound Name3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol
PubChem CID166838894
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol
SMILESCCC(COC(C)(C)CC(N)CN)C(C)(C)O
InChIInChI=1S/C13H30N2O2/c1-6-10(13(4,5)16)9-17-12(2,3)7-11(15)8-14/h10-11,16H,6-9,14-15H2,1-5H3
InChIKeyJCOHWIDXAYIUHN-UHFFFAOYSA-N
XLogP1.25
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol?
The IUPAC name of 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol (CID 166838894) is 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol.
What is the SMILES notation for 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol?
The canonical SMILES for 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol is CCC(COC(C)(C)CC(N)CN)C(C)(C)O.
What is the InChIKey of 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol?
The InChIKey is JCOHWIDXAYIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-6-10(13(4,5)16)9-17-12(2,3)7-11(15)8-14/h10-11,16H,6-9,14-15H2,1-5H3.
What are the key properties of 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol?
3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol has a molecular weight of 246.39 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diamino-2-methylpentan-2-yl)oxymethyl]-2-methylpentan-2-ol is sourced from PubChem (CID 166838894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).