N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde

C22H29NO — CID 157133896

IUPACN-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1.CC/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C12H17N.C10H12O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;1-8(2)10-5-3-9(7-11)4-6-10/h5-10H,4H2,1-3H3;3-8H,1-2H3/b13-9+;
InChIKeyAJJWTZPCZUBDMV-KJEVSKRMSA-N
MW323.48 g/mol
LogP5.87
Rot. Bonds5

About N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde

N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde (PubChem CID 157133896) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
PubChem CID157133896
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC NameN-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(C=O)cc1.CC/N=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C12H17N.C10H12O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;1-8(2)10-5-3-9(7-11)4-6-10/h5-10H,4H2,1-3H3;3-8H,1-2H3/b13-9+;
InChIKeyAJJWTZPCZUBDMV-KJEVSKRMSA-N
XLogP5.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-ylbenzaldehyde
CID 326
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
4-(hexyliminomethyl)benzaldehyde
CID 87557780
ethane;1-[4-(ethyliminomethyl)phenyl]-N-methylmethanimine
CID 142544034
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
(E)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]ethanimine
CID 134096569
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153
2-[(4-propan-2-ylphenyl)methylidene]butanal
CID 79014775

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde?
The IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde (CID 157133896) is N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde is CC(C)c1ccc(C=O)cc1.CC/N=C/c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde?
The InChIKey is AJJWTZPCZUBDMV-KJEVSKRMSA-N. The full InChI is InChI=1S/C12H17N.C10H12O/c1-4-13-9-11-5-7-12(8-6-11)10(2)3;1-8(2)10-5-3-9(7-11)4-6-10/h5-10H,4H2,1-3H3;3-8H,1-2H3/b13-9+;.
What are the key properties of N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde?
N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde has a molecular weight of 323.48 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-ylphenyl)methanimine;4-propan-2-ylbenzaldehyde is sourced from PubChem (CID 157133896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).