2-methylbutan-2-amine;hydrate

C5H15NO — CID 173000674

IUPAC2-methylbutan-2-amine;hydrate
SMILESCCC(C)(C)N.O
InChIInChI=1S/C5H13N.H2O/c1-4-5(2,3)6;/h4,6H2,1-3H3;1H2
InChIKeyFCKVBROMOWKSDT-UHFFFAOYSA-N
MW105.18 g/mol
LogP0.31
Rot. Bonds1

About 2-methylbutan-2-amine;hydrate

2-methylbutan-2-amine;hydrate (PubChem CID 173000674) has the molecular formula C5H15NO and a molecular weight of 105.18 g/mol. Its IUPAC name is 2-methylbutan-2-amine;hydrate.

Molecular Properties

Compound Name2-methylbutan-2-amine;hydrate
PubChem CID173000674
Molecular FormulaC5H15NO
Molecular Weight105.18 g/mol
Exact Mass105.12
IUPAC Name2-methylbutan-2-amine;hydrate
SMILESCCC(C)(C)N.O
InChIInChI=1S/C5H13N.H2O/c1-4-5(2,3)6;/h4,6H2,1-3H3;1H2
InChIKeyFCKVBROMOWKSDT-UHFFFAOYSA-N
XLogP0.31
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-amine;hydrate?
The IUPAC name of 2-methylbutan-2-amine;hydrate (CID 173000674) is 2-methylbutan-2-amine;hydrate.
What is the SMILES notation for 2-methylbutan-2-amine;hydrate?
The canonical SMILES for 2-methylbutan-2-amine;hydrate is CCC(C)(C)N.O.
What is the InChIKey of 2-methylbutan-2-amine;hydrate?
The InChIKey is FCKVBROMOWKSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.H2O/c1-4-5(2,3)6;/h4,6H2,1-3H3;1H2.
What are the key properties of 2-methylbutan-2-amine;hydrate?
2-methylbutan-2-amine;hydrate has a molecular weight of 105.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-amine;hydrate is sourced from PubChem (CID 173000674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).