1,5-diamino-3-methylpentan-3-ol

C6H16N2O — CID 55289745

IUPAC1,5-diamino-3-methylpentan-3-ol
SMILESCC(O)(CCN)CCN
InChIInChI=1S/C6H16N2O/c1-6(9,2-4-7)3-5-8/h9H,2-5,7-8H2,1H3
InChIKeyRXNVHLIJUJGBPU-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.56
Rot. Bonds4

About 1,5-diamino-3-methylpentan-3-ol

1,5-diamino-3-methylpentan-3-ol (PubChem CID 55289745) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,5-diamino-3-methylpentan-3-ol.

Molecular Properties

Compound Name1,5-diamino-3-methylpentan-3-ol
PubChem CID55289745
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1,5-diamino-3-methylpentan-3-ol
SMILESCC(O)(CCN)CCN
InChIInChI=1S/C6H16N2O/c1-6(9,2-4-7)3-5-8/h9H,2-5,7-8H2,1H3
InChIKeyRXNVHLIJUJGBPU-UHFFFAOYSA-N
XLogP-0.56
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diamino-3-methylpentan-3-ol?
The IUPAC name of 1,5-diamino-3-methylpentan-3-ol (CID 55289745) is 1,5-diamino-3-methylpentan-3-ol.
What is the SMILES notation for 1,5-diamino-3-methylpentan-3-ol?
The canonical SMILES for 1,5-diamino-3-methylpentan-3-ol is CC(O)(CCN)CCN.
What is the InChIKey of 1,5-diamino-3-methylpentan-3-ol?
The InChIKey is RXNVHLIJUJGBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(9,2-4-7)3-5-8/h9H,2-5,7-8H2,1H3.
What are the key properties of 1,5-diamino-3-methylpentan-3-ol?
1,5-diamino-3-methylpentan-3-ol has a molecular weight of 132.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-3-methylpentan-3-ol is sourced from PubChem (CID 55289745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).