2,3-diamino-3-methylbutan-1-ol

C5H14N2O — CID 23179903

IUPAC2,3-diamino-3-methylbutan-1-ol
SMILESCC(C)(N)C(N)CO
InChIInChI=1S/C5H14N2O/c1-5(2,7)4(6)3-8/h4,8H,3,6-7H2,1-2H3
InChIKeyNVMFTTGQNTVGOY-UHFFFAOYSA-N
MW118.18 g/mol
LogP-0.96
Rot. Bonds2

About 2,3-diamino-3-methylbutan-1-ol

2,3-diamino-3-methylbutan-1-ol (PubChem CID 23179903) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is 2,3-diamino-3-methylbutan-1-ol.

Molecular Properties

Compound Name2,3-diamino-3-methylbutan-1-ol
PubChem CID23179903
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name2,3-diamino-3-methylbutan-1-ol
SMILESCC(C)(N)C(N)CO
InChIInChI=1S/C5H14N2O/c1-5(2,7)4(6)3-8/h4,8H,3,6-7H2,1-2H3
InChIKeyNVMFTTGQNTVGOY-UHFFFAOYSA-N
XLogP-0.96
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-methylbutan-1-ol?
The IUPAC name of 2,3-diamino-3-methylbutan-1-ol (CID 23179903) is 2,3-diamino-3-methylbutan-1-ol.
What is the SMILES notation for 2,3-diamino-3-methylbutan-1-ol?
The canonical SMILES for 2,3-diamino-3-methylbutan-1-ol is CC(C)(N)C(N)CO.
What is the InChIKey of 2,3-diamino-3-methylbutan-1-ol?
The InChIKey is NVMFTTGQNTVGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O/c1-5(2,7)4(6)3-8/h4,8H,3,6-7H2,1-2H3.
What are the key properties of 2,3-diamino-3-methylbutan-1-ol?
2,3-diamino-3-methylbutan-1-ol has a molecular weight of 118.18 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-methylbutan-1-ol is sourced from PubChem (CID 23179903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).