2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol

C10H26N2O2 — CID 87877182

IUPAC2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol
SMILESCC(C)C(N)CO.CCCC(O)CN
InChIInChI=1S/2C5H13NO/c1-4(2)5(6)3-7;1-2-3-5(7)4-6/h4-5,7H,3,6H2,1-2H3;5,7H,2-4,6H2,1H3
InChIKeyJCHUSZFRGYFOAD-UHFFFAOYSA-N
MW206.33 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol

2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol (PubChem CID 87877182) has the molecular formula C10H26N2O2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol.

Molecular Properties

Compound Name2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol
PubChem CID87877182
Molecular FormulaC10H26N2O2
Molecular Weight206.33 g/mol
Exact Mass206.20
IUPAC Name2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol
SMILESCC(C)C(N)CO.CCCC(O)CN
InChIInChI=1S/2C5H13NO/c1-4(2)5(6)3-7;1-2-3-5(7)4-6/h4-5,7H,3,6H2,1-2H3;5,7H,2-4,6H2,1H3
InChIKeyJCHUSZFRGYFOAD-UHFFFAOYSA-N
XLogP0.07
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol?
The IUPAC name of 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol (CID 87877182) is 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol.
What is the SMILES notation for 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol?
The canonical SMILES for 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol is CC(C)C(N)CO.CCCC(O)CN.
What is the InChIKey of 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol?
The InChIKey is JCHUSZFRGYFOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H13NO/c1-4(2)5(6)3-7;1-2-3-5(7)4-6/h4-5,7H,3,6H2,1-2H3;5,7H,2-4,6H2,1H3.
What are the key properties of 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol?
2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutan-1-ol;1-aminopentan-2-ol is sourced from PubChem (CID 87877182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).