N-methyl-1-(3-propan-2-ylphenyl)ethanimine

C12H17N — CID 59110491

IUPACN-methyl-1-(3-propan-2-ylphenyl)ethanimine
SMILESC/N=C(\C)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17N/c1-9(2)11-6-5-7-12(8-11)10(3)13-4/h5-9H,1-4H3/b13-10+
InChIKeyRFUOBZAXOWAFII-JLHYYAGUSA-N
MW175.27 g/mol
LogP3.25
Rot. Bonds2

About N-methyl-1-(3-propan-2-ylphenyl)ethanimine

N-methyl-1-(3-propan-2-ylphenyl)ethanimine (PubChem CID 59110491) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-ylphenyl)ethanimine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-ylphenyl)ethanimine
PubChem CID59110491
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-methyl-1-(3-propan-2-ylphenyl)ethanimine
SMILESC/N=C(\C)c1cccc(C(C)C)c1
InChIInChI=1S/C12H17N/c1-9(2)11-6-5-7-12(8-11)10(3)13-4/h5-9H,1-4H3/b13-10+
InChIKeyRFUOBZAXOWAFII-JLHYYAGUSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.25
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

(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
CID 23568826
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
CID 89230428
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
cumene;N'-methylethanimidamide
CID 142863724
(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 176864496
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-ylphenyl)ethanimine?
The IUPAC name of N-methyl-1-(3-propan-2-ylphenyl)ethanimine (CID 59110491) is N-methyl-1-(3-propan-2-ylphenyl)ethanimine.
What is the SMILES notation for N-methyl-1-(3-propan-2-ylphenyl)ethanimine?
The canonical SMILES for N-methyl-1-(3-propan-2-ylphenyl)ethanimine is C/N=C(\C)c1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-1-(3-propan-2-ylphenyl)ethanimine?
The InChIKey is RFUOBZAXOWAFII-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)11-6-5-7-12(8-11)10(3)13-4/h5-9H,1-4H3/b13-10+.
What are the key properties of N-methyl-1-(3-propan-2-ylphenyl)ethanimine?
N-methyl-1-(3-propan-2-ylphenyl)ethanimine has a molecular weight of 175.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-ylphenyl)ethanimine is sourced from PubChem (CID 59110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).