[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol

C6H13NO — CID 129408027

IUPAC[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C[C@@]1(N)CO
InChIInChI=1S/C6H13NO/c1-5(2)3-6(5,7)4-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyXWALSTDMIDQTIK-ZCFIWIBFSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds1

About [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol

[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol (PubChem CID 129408027) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol
PubChem CID129408027
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C[C@@]1(N)CO
InChIInChI=1S/C6H13NO/c1-5(2)3-6(5,7)4-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKeyXWALSTDMIDQTIK-ZCFIWIBFSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol (CID 129408027) is [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol is CC1(C)C[C@@]1(N)CO.
What is the InChIKey of [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol?
The InChIKey is XWALSTDMIDQTIK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)3-6(5,7)4-8/h8H,3-4,7H2,1-2H3/t6-/m1/s1.
What are the key properties of [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol?
[(1S)-1-amino-2,2-dimethylcyclopropyl]methanol has a molecular weight of 115.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-amino-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 129408027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).