1,4-diamino-2-methylbutan-2-ol;dihydrochloride

C5H16Cl2N2O — CID 88739570

IUPAC1,4-diamino-2-methylbutan-2-ol;dihydrochloride
SMILESCC(O)(CN)CCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-5(8,4-7)2-3-6;;/h8H,2-4,6-7H2,1H3;2*1H
InChIKeyLEJTWRJBGCLYNQ-UHFFFAOYSA-N
MW191.10 g/mol
LogP-0.11
Rot. Bonds3

About 1,4-diamino-2-methylbutan-2-ol;dihydrochloride

1,4-diamino-2-methylbutan-2-ol;dihydrochloride (PubChem CID 88739570) has the molecular formula C5H16Cl2N2O and a molecular weight of 191.10 g/mol. Its IUPAC name is 1,4-diamino-2-methylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1,4-diamino-2-methylbutan-2-ol;dihydrochloride
PubChem CID88739570
Molecular FormulaC5H16Cl2N2O
Molecular Weight191.10 g/mol
Exact Mass190.06
IUPAC Name1,4-diamino-2-methylbutan-2-ol;dihydrochloride
SMILESCC(O)(CN)CCN.Cl.Cl
InChIInChI=1S/C5H14N2O.2ClH/c1-5(8,4-7)2-3-6;;/h8H,2-4,6-7H2,1H3;2*1H
InChIKeyLEJTWRJBGCLYNQ-UHFFFAOYSA-N
XLogP-0.11
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-2-methylbutan-2-ol;dihydrochloride?
The IUPAC name of 1,4-diamino-2-methylbutan-2-ol;dihydrochloride (CID 88739570) is 1,4-diamino-2-methylbutan-2-ol;dihydrochloride.
What is the SMILES notation for 1,4-diamino-2-methylbutan-2-ol;dihydrochloride?
The canonical SMILES for 1,4-diamino-2-methylbutan-2-ol;dihydrochloride is CC(O)(CN)CCN.Cl.Cl.
What is the InChIKey of 1,4-diamino-2-methylbutan-2-ol;dihydrochloride?
The InChIKey is LEJTWRJBGCLYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.2ClH/c1-5(8,4-7)2-3-6;;/h8H,2-4,6-7H2,1H3;2*1H.
What are the key properties of 1,4-diamino-2-methylbutan-2-ol;dihydrochloride?
1,4-diamino-2-methylbutan-2-ol;dihydrochloride has a molecular weight of 191.10 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-2-methylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 88739570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).