N-[(2S)-butan-2-yl]-2-phenylethenimine

C12H15N — CID 13459841

IUPACN-[(2S)-butan-2-yl]-2-phenylethenimine
SMILESCC[C@H](C)N=C=Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h4-9,11H,3H2,1-2H3/t11-/m0/s1
InChIKeyFZJHYLJEDCZNJE-NSHDSACASA-N
MW173.26 g/mol
LogP3.17
Rot. Bonds3

About N-[(2S)-butan-2-yl]-2-phenylethenimine

N-[(2S)-butan-2-yl]-2-phenylethenimine (PubChem CID 13459841) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-phenylethenimine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-phenylethenimine
PubChem CID13459841
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-[(2S)-butan-2-yl]-2-phenylethenimine
SMILESCC[C@H](C)N=C=Cc1ccccc1
InChIInChI=1S/C12H15N/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h4-9,11H,3H2,1-2H3/t11-/m0/s1
InChIKeyFZJHYLJEDCZNJE-NSHDSACASA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.17
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

N-butan-2-yl-1-[3-(butan-2-yliminomethyl)phenyl]methanimine
CID 102190554
(4-methyl-1-phenylpenta-1,2-dien-3-yl)benzene
CID 10633480
carbanide;2-phenylethenylidenerhodium;bis(tri(propan-2-yl)phosphane)
CID 11038817
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 11777882
[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
CID 59892266
(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
3-(benzylideneamino)butan-1-ol
CID 101452219
2-benzylidene-3-methylpentan-1-amine
CID 154441203
(2R)-1-(benzylideneamino)butan-2-ol
CID 99912472
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-phenylethenimine?
The IUPAC name of N-[(2S)-butan-2-yl]-2-phenylethenimine (CID 13459841) is N-[(2S)-butan-2-yl]-2-phenylethenimine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-phenylethenimine?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-phenylethenimine is CC[C@H](C)N=C=Cc1ccccc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-phenylethenimine?
The InChIKey is FZJHYLJEDCZNJE-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N/c1-3-11(2)13-10-9-12-7-5-4-6-8-12/h4-9,11H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-phenylethenimine?
N-[(2S)-butan-2-yl]-2-phenylethenimine has a molecular weight of 173.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-phenylethenimine is sourced from PubChem (CID 13459841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).