N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine

C17H27NO2 — CID 79330031

IUPACN-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1cc(OC)ccc1OC)CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-13(12-18-17(2,3)4)10-14-11-15(19-5)8-9-16(14)20-6/h8-11,18H,7,12H2,1-6H3
InChIKeyWPRYOYSNCSHBOB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.89
Rot. Bonds6

About N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine

N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine (PubChem CID 79330031) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
PubChem CID79330031
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine
SMILESCCC(=Cc1cc(OC)ccc1OC)CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-7-13(12-18-17(2,3)4)10-14-11-15(19-5)8-9-16(14)20-6/h8-11,18H,7,12H2,1-6H3
InChIKeyWPRYOYSNCSHBOB-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338857
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-tert-butylbutan-1-amine
CID 79329522
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
2-[(5-bromo-2-methoxyphenyl)methylidene]-N-tert-butyl-3-methylbutan-1-amine
CID 79338927
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
N-tert-butyl-2-[(2,6-dichlorophenyl)methylidene]butan-1-amine
CID 79329244
(Z)-2-acetamido-3-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 82254507
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
CID 79343823
4-(2,5-dimethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79592499
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
2-(diethylamino)-2-(2,5-dimethoxyphenyl)propanoic acid
CID 43803580

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine (CID 79330031) is N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine is CCC(=Cc1cc(OC)ccc1OC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine?
The InChIKey is WPRYOYSNCSHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-13(12-18-17(2,3)4)10-14-11-15(19-5)8-9-16(14)20-6/h8-11,18H,7,12H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine?
N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,5-dimethoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79330031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).