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

C5H12NO- — CID 102337471

IUPAC1-amino-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C-](N)O
InChIInChI=1S/C5H12NO/c1-5(2,3)4(6)7/h7H,6H2,1-3H3/q-1
InChIKeyMQSVPHKQDRAGBG-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.85
Rot. Bonds

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

1-amino-2,2-dimethylpropan-1-ol (PubChem CID 102337471) has the molecular formula C5H12NO- and a molecular weight of 102.16 g/mol. Its IUPAC name is 1-amino-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-amino-2,2-dimethylpropan-1-ol
PubChem CID102337471
Molecular FormulaC5H12NO-
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name1-amino-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)[C-](N)O
InChIInChI=1S/C5H12NO/c1-5(2,3)4(6)7/h7H,6H2,1-3H3/q-1
InChIKeyMQSVPHKQDRAGBG-UHFFFAOYSA-N
XLogP0.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 102337471) 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 MQSVPHKQDRAGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO/c1-5(2,3)4(6)7/h7H,6H2,1-3H3/q-1.
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 102.16 g/mol, XLogP of 0.85, 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 102337471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).