methane;1-(4-propan-2-ylphenyl)ethanimine

C12H19N — CID 158544524

IUPACmethane;1-(4-propan-2-ylphenyl)ethanimine
SMILESC.[H]/N=C(\C)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H15N.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-8,12H,1-3H3;1H4/b12-9+;
InChIKeyHOYDTSUDGLAWMF-NBYYMMLRSA-N
MW177.29 g/mol
LogP3.83
Rot. Bonds2

About methane;1-(4-propan-2-ylphenyl)ethanimine

methane;1-(4-propan-2-ylphenyl)ethanimine (PubChem CID 158544524) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is methane;1-(4-propan-2-ylphenyl)ethanimine.

Molecular Properties

Compound Namemethane;1-(4-propan-2-ylphenyl)ethanimine
PubChem CID158544524
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Namemethane;1-(4-propan-2-ylphenyl)ethanimine
SMILESC.[H]/N=C(\C)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H15N.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-8,12H,1-3H3;1H4/b12-9+;
InChIKeyHOYDTSUDGLAWMF-NBYYMMLRSA-N
XLogP3.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethanimidoylbenzenecarboximidamide
CID 148687988
ethane;1-phenylethanimine
CID 91121262
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
(NE)-N-[(1Z)-1-hydroxyimino-1-(4-propan-2-ylphenyl)propan-2-ylidene]hydroxylamine
CID 135574535
methane;4-propan-2-ylphenol
CID 159328733
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
1-(3-chloro-4-fluorophenyl)ethanimine
CID 126491422
1-(7,8-diazabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-3-yl)ethanimine
CID 143554696
(E)-4-(4-propan-2-ylphenyl)pent-3-en-2-ol
CID 103971141
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
2-methyl-1-(4-propan-2-ylphenyl)but-2-en-1-one
CID 123351544

Frequently Asked Questions

What is the IUPAC name of methane;1-(4-propan-2-ylphenyl)ethanimine?
The IUPAC name of methane;1-(4-propan-2-ylphenyl)ethanimine (CID 158544524) is methane;1-(4-propan-2-ylphenyl)ethanimine.
What is the SMILES notation for methane;1-(4-propan-2-ylphenyl)ethanimine?
The canonical SMILES for methane;1-(4-propan-2-ylphenyl)ethanimine is C.[H]/N=C(\C)c1ccc(C(C)C)cc1.
What is the InChIKey of methane;1-(4-propan-2-ylphenyl)ethanimine?
The InChIKey is HOYDTSUDGLAWMF-NBYYMMLRSA-N. The full InChI is InChI=1S/C11H15N.CH4/c1-8(2)10-4-6-11(7-5-10)9(3)12;/h4-8,12H,1-3H3;1H4/b12-9+;.
What are the key properties of methane;1-(4-propan-2-ylphenyl)ethanimine?
methane;1-(4-propan-2-ylphenyl)ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(4-propan-2-ylphenyl)ethanimine is sourced from PubChem (CID 158544524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).