2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine

C18H29N — CID 79329105

IUPAC2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(C(C)(C)C)cc1)CNC(C)C
InChIInChI=1S/C18H29N/c1-7-15(13-19-14(2)3)12-16-8-10-17(11-9-16)18(4,5)6/h8-12,14,19H,7,13H2,1-6H3
InChIKeyPSSOVATYZMEQOA-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79329105) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79329105
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1ccc(C(C)(C)C)cc1)CNC(C)C
InChIInChI=1S/C18H29N/c1-7-15(13-19-14(2)3)12-16-8-10-17(11-9-16)18(4,5)6/h8-12,14,19H,7,13H2,1-6H3
InChIKeyPSSOVATYZMEQOA-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
CID 79328770
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
N-tert-butyl-2-(pyridin-4-ylmethylidene)butan-1-amine
CID 79328789
1-tert-butyl-4-(2,2-dibromoethenyl)benzene
CID 95993486
2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine
CID 79328984
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 79329105) is 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1ccc(C(C)(C)C)cc1)CNC(C)C.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is PSSOVATYZMEQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-7-15(13-19-14(2)3)12-16-8-10-17(11-9-16)18(4,5)6/h8-12,14,19H,7,13H2,1-6H3.
What are the key properties of 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79329105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).