N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine

C15H21Cl2N — CID 79329244

IUPACN-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1c(Cl)cccc1Cl)CNC(C)(C)C
InChIInChI=1S/C15H21Cl2N/c1-5-11(10-18-15(2,3)4)9-12-13(16)7-6-8-14(12)17/h6-9,18H,5,10H2,1-4H3
InChIKeyUPUMCPIVTREHLX-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.17
Rot. Bonds4

About N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine

N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine (PubChem CID 79329244) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
PubChem CID79329244
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1c(Cl)cccc1Cl)CNC(C)(C)C
InChIInChI=1S/C15H21Cl2N/c1-5-11(10-18-15(2,3)4)9-12-13(16)7-6-8-14(12)17/h6-9,18H,5,10H2,1-4H3
InChIKeyUPUMCPIVTREHLX-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorophenyl)methylidene]butan-1-ol
CID 79335321
N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
CID 79328789
N-tert-butyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79329122
2-[(2,3-dichlorophenyl)methylidene]-N-methylbutan-1-amine
CID 79328932
2-[(2,3-dichlorophenyl)methylidene]-N-ethylbutan-1-amine
CID 79330194
(2Z)-N-tert-butyl-2-[(2-methylquinolin-6-yl)methylidene]butan-1-amine
CID 105379767
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
(2E)-2-[(2,6-dichlorophenyl)methylidene]butanoic acid
CID 90018909
N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
CID 79330031
(2E)-2-[(3-chloro-2-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 114489335
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
3-(2,6-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79334453

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine (CID 79329244) is N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine is CCC(=Cc1c(Cl)cccc1Cl)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine?
The InChIKey is UPUMCPIVTREHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-5-11(10-18-15(2,3)4)9-12-13(16)7-6-8-14(12)17/h6-9,18H,5,10H2,1-4H3.
What are the key properties of N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine?
N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79329244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).