1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine

C13H19N3 — CID 101094846

IUPAC1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
SMILESC[C@@H](N=C1N(C)CCN1C)c1ccccc1
InChIInChI=1S/C13H19N3/c1-11(12-7-5-4-6-8-12)14-13-15(2)9-10-16(13)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWVPGXWHFJOAFAS-LLVKDONJSA-N
MW217.32 g/mol
LogP1.98
Rot. Bonds2

About 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine

1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine (PubChem CID 101094846) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
PubChem CID101094846
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
SMILESC[C@@H](N=C1N(C)CCN1C)c1ccccc1
InChIInChI=1S/C13H19N3/c1-11(12-7-5-4-6-8-12)14-13-15(2)9-10-16(13)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWVPGXWHFJOAFAS-LLVKDONJSA-N
XLogP1.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine
CID 11149262
(2-benzhydrylimino-3-methylimidazolidin-1-yl)-phenylmethanone
CID 12503430
1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
CID 10868949
trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
CID 102093030
phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
CID 15402478
(3R,5S)-4-[(1S)-1-phenylethyl]iminoadamantan-1-ol
CID 59658215
1-methyl-N-[1-[4-(2-phenylethyl)phenyl]ethyl]pyrrolidin-2-imine;hydrate;hydrochloride
CID 13012143
2-(4-bromophenyl)-N-(1,3-dimethylimidazolidin-2-ylidene)-2-phenylacetamide
CID 53362137
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-[2-[(1S)-1-phenylethyl]imino-4-propan-2-yl-1,3-thiazol-3-yl]ethanol
CID 71017961

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine?
The IUPAC name of 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine (CID 101094846) is 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine?
The canonical SMILES for 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine is C[C@@H](N=C1N(C)CCN1C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine?
The InChIKey is WVPGXWHFJOAFAS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3/c1-11(12-7-5-4-6-8-12)14-13-15(2)9-10-16(13)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine?
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine has a molecular weight of 217.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine is sourced from PubChem (CID 101094846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).