2-methylpropan-2-amine;hydrate

C4H13NO — CID 86175481

IUPAC2-methylpropan-2-amine;hydrate
SMILESCC(C)(C)N.O
InChIInChI=1S/C4H11N.H2O/c1-4(2,3)5;/h5H2,1-3H3;1H2
InChIKeyJUWSCPBRVFRPFT-UHFFFAOYSA-N
MW91.15 g/mol
LogP-0.08
Rot. Bonds

About 2-methylpropan-2-amine;hydrate

2-methylpropan-2-amine;hydrate (PubChem CID 86175481) has the molecular formula C4H13NO and a molecular weight of 91.15 g/mol. Its IUPAC name is 2-methylpropan-2-amine;hydrate.

Molecular Properties

Compound Name2-methylpropan-2-amine;hydrate
PubChem CID86175481
Molecular FormulaC4H13NO
Molecular Weight91.15 g/mol
Exact Mass91.10
IUPAC Name2-methylpropan-2-amine;hydrate
SMILESCC(C)(C)N.O
InChIInChI=1S/C4H11N.H2O/c1-4(2,3)5;/h5H2,1-3H3;1H2
InChIKeyJUWSCPBRVFRPFT-UHFFFAOYSA-N
XLogP-0.08
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.15
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;hydrate?
The IUPAC name of 2-methylpropan-2-amine;hydrate (CID 86175481) is 2-methylpropan-2-amine;hydrate.
What is the SMILES notation for 2-methylpropan-2-amine;hydrate?
The canonical SMILES for 2-methylpropan-2-amine;hydrate is CC(C)(C)N.O.
What is the InChIKey of 2-methylpropan-2-amine;hydrate?
The InChIKey is JUWSCPBRVFRPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.H2O/c1-4(2,3)5;/h5H2,1-3H3;1H2.
What are the key properties of 2-methylpropan-2-amine;hydrate?
2-methylpropan-2-amine;hydrate has a molecular weight of 91.15 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;hydrate is sourced from PubChem (CID 86175481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).