N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide

C6H14N2O — CID 93499614

IUPACN'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide
SMILESC[C@@H](CO)/N=C/N(C)C
InChIInChI=1S/C6H14N2O/c1-6(4-9)7-5-8(2)3/h5-6,9H,4H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeyZPIILODBLLGRRP-YXXZKMSWSA-N
MW130.19 g/mol
LogP-0.04
Rot. Bonds3

About N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide

N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 93499614) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide
PubChem CID93499614
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide
SMILESC[C@@H](CO)/N=C/N(C)C
InChIInChI=1S/C6H14N2O/c1-6(4-9)7-5-8(2)3/h5-6,9H,4H2,1-3H3/b7-5+/t6-/m0/s1
InChIKeyZPIILODBLLGRRP-YXXZKMSWSA-N
XLogP-0.04
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide 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 N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide (CID 93499614) is N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide is C[C@@H](CO)/N=C/N(C)C.
What is the InChIKey of N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ZPIILODBLLGRRP-YXXZKMSWSA-N. The full InChI is InChI=1S/C6H14N2O/c1-6(4-9)7-5-8(2)3/h5-6,9H,4H2,1-3H3/b7-5+/t6-/m0/s1.
What are the key properties of N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide?
N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 130.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-hydroxypropan-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 93499614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).