1-amino-2,2-dimethylpropan-1-ol

C5H13NO — CID 3016233

IUPAC1-amino-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(N)O
InChIInChI=1S/C5H13NO/c1-5(2,3)4(6)7/h4,7H,6H2,1-3H3
InChIKeyWXOWRMDTEXXRQY-UHFFFAOYSA-N
MW103.16 g/mol
LogP0.31
Rot. Bonds

About 1-amino-2,2-dimethylpropan-1-ol

1-amino-2,2-dimethylpropan-1-ol (PubChem CID 3016233) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is 1-amino-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-amino-2,2-dimethylpropan-1-ol
PubChem CID3016233
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Name1-amino-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(N)O
InChIInChI=1S/C5H13NO/c1-5(2,3)4(6)7/h4,7H,6H2,1-3H3
InChIKeyWXOWRMDTEXXRQY-UHFFFAOYSA-N
XLogP0.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-amino-2,2-dimethylpropan-1-ol (CID 3016233) is 1-amino-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-amino-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-amino-2,2-dimethylpropan-1-ol is CC(C)(C)C(N)O.
What is the InChIKey of 1-amino-2,2-dimethylpropan-1-ol?
The InChIKey is WXOWRMDTEXXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO/c1-5(2,3)4(6)7/h4,7H,6H2,1-3H3.
What are the key properties of 1-amino-2,2-dimethylpropan-1-ol?
1-amino-2,2-dimethylpropan-1-ol has a molecular weight of 103.16 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 3016233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).