4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline

C17H28N2 — CID 104501779

IUPAC4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
SMILESC=CCN(CCC(C)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-6-12-19(17(3,4)5)13-11-14(2)15-7-9-16(18)10-8-15/h6-10,14H,1,11-13,18H2,2-5H3
InChIKeyHHXXSJHOYIKDEW-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.05
Rot. Bonds6

About 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline

4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline (PubChem CID 104501779) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline.

Molecular Properties

Compound Name4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
PubChem CID104501779
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline
SMILESC=CCN(CCC(C)c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C17H28N2/c1-6-12-19(17(3,4)5)13-11-14(2)15-7-9-16(18)10-8-15/h6-10,14H,1,11-13,18H2,2-5H3
InChIKeyHHXXSJHOYIKDEW-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[propan-2-yl(prop-2-enyl)amino]butan-2-yl]aniline
CID 104501778
4-[4-(diethylamino)butan-2-yl]aniline
CID 104501389
N-[3-(4-aminophenyl)butyl]-N-ethylformamide;2-methoxy-2-methylpropane
CID 177197546
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
4-[4-[methyl(2-methylprop-2-enyl)amino]butan-2-yl]aniline
CID 113498668
N'-tert-butyl-1-(4-methylphenyl)-N'-prop-2-enylethane-1,2-diamine
CID 114172181
4-[4-[methyl(4-methylpentan-2-yl)amino]butan-2-yl]aniline
CID 104501576
4-[4-[butyl(ethyl)amino]butan-2-yl]aniline
CID 113419964
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
4-[4-[benzyl(methyl)amino]butan-2-yl]aniline
CID 104501397
4-[1-(4-aminophenyl)but-3-enyl]aniline
CID 67940159

Frequently Asked Questions

What is the IUPAC name of 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline?
The IUPAC name of 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline (CID 104501779) is 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline.
What is the SMILES notation for 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline?
The canonical SMILES for 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline is C=CCN(CCC(C)c1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline?
The InChIKey is HHXXSJHOYIKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-12-19(17(3,4)5)13-11-14(2)15-7-9-16(18)10-8-15/h6-10,14H,1,11-13,18H2,2-5H3.
What are the key properties of 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline?
4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline has a molecular weight of 260.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[tert-butyl(prop-2-enyl)amino]butan-2-yl]aniline is sourced from PubChem (CID 104501779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).