ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine

C17H30N2 — CID 143623031

IUPACethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
SMILESC=C.CCc1ccc(C(C)N(C)C)c(C)c1C.[H]N=C
InChIInChI=1S/C14H23N.C2H4.CH3N/c1-7-13-8-9-14(11(3)10(13)2)12(4)15(5)6;2*1-2/h8-9,12H,7H2,1-6H3;1-2H2;2H,1H2
InChIKeyLAASXCBTJOVOGX-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.56
Rot. Bonds3

About ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine

ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine (PubChem CID 143623031) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine.

Molecular Properties

Compound Nameethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
PubChem CID143623031
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Nameethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
SMILESC=C.CCc1ccc(C(C)N(C)C)c(C)c1C.[H]N=C
InChIInChI=1S/C14H23N.C2H4.CH3N/c1-7-13-8-9-14(11(3)10(13)2)12(4)15(5)6;2*1-2/h8-9,12H,7H2,1-6H3;1-2H2;2H,1H2
InChIKeyLAASXCBTJOVOGX-UHFFFAOYSA-N
XLogP4.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylbenzylamine
CID 66735
2,4-Dimethylbenzylamine
CID 66761
Benzenemethanamine, 3,4-dimethyl-
CID 66888
1-[(2,4-Dimethylphenyl)methyl]-4-methylpiperazine
CID 791382
1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]-N,N-dimethylmethanamine
CID 13675122
4-Dimethylaminomethylbenzylamine
CID 193714
1-(3,4-Dimethylphenyl)ethan-1-amine
CID 5086468
(4-(2-(Dimethylamino)ethyl)phenyl)methanamine
CID 46173603
1,3-Bis(dimethylaminomethyl)benzene
CID 432841
(2E,4E)-N-methyl-5-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)penta-2,4-dien-1-amine;hydrochloride
CID 127044646
(E)-N-methyl-3-phenyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127044973
(E)-N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 127045118

Frequently Asked Questions

What is the IUPAC name of ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine?
The IUPAC name of ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine (CID 143623031) is ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine.
What is the SMILES notation for ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine?
The canonical SMILES for ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine is C=C.CCc1ccc(C(C)N(C)C)c(C)c1C.[H]N=C.
What is the InChIKey of ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine?
The InChIKey is LAASXCBTJOVOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H4.CH3N/c1-7-13-8-9-14(11(3)10(13)2)12(4)15(5)6;2*1-2/h8-9,12H,7H2,1-6H3;1-2H2;2H,1H2.
What are the key properties of ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine?
ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine has a molecular weight of 262.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine is sourced from PubChem (CID 143623031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).