2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane

C17H30N2 — CID 143665839

IUPAC2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane
SMILESCC.CN(C)CC/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2.C2H6/c1-15(2,3)14-8-6-13(7-9-14)12-16-10-11-17(4)5;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b16-12+;
InChIKeyKEAYODSIKMYKTC-CLNHMMGSSA-N
MW262.44 g/mol
LogP3.99
Rot. Bonds4

About 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane

2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane (PubChem CID 143665839) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane
PubChem CID143665839
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane
SMILESCC.CN(C)CC/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24N2.C2H6/c1-15(2,3)14-8-6-13(7-9-14)12-16-10-11-17(4)5;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b16-12+;
InChIKeyKEAYODSIKMYKTC-CLNHMMGSSA-N
XLogP3.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
4-[(Z)-(4-tert-butylphenyl)methylideneamino]-3-pentan-3-yl-1H-1,2,4-triazole-5-thione
CID 110519681
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
CID 137090728
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
2-[(8-bromonaphthalen-1-yl)methylideneamino]-N,N-dimethylethanamine
CID 132933361
calcium;2,4-ditert-butyl-6-[2-(dimethylamino)ethyliminomethyl]phenolate;oxolane;chloride
CID 139038564
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(benzylideneamino)-N,N-dimethylmethanamine
CID 70014229
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane?
The IUPAC name of 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane (CID 143665839) is 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane is CC.CN(C)CC/N=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane?
The InChIKey is KEAYODSIKMYKTC-CLNHMMGSSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-15(2,3)14-8-6-13(7-9-14)12-16-10-11-17(4)5;1-2/h6-9,12H,10-11H2,1-5H3;1-2H3/b16-12+;.
What are the key properties of 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane?
2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane has a molecular weight of 262.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylideneamino]-N,N-dimethylethanamine;ethane is sourced from PubChem (CID 143665839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).