1-(4-tert-butylphenyl)but-3-en-1-amine

C14H21N — CID 112693451

IUPAC1-(4-tert-butylphenyl)but-3-en-1-amine
SMILESC=CCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21N/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4/h5,7-10,13H,1,6,15H2,2-4H3
InChIKeyCUVWUPKBZBPNEV-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.56
Rot. Bonds3

About 1-(4-tert-butylphenyl)but-3-en-1-amine

1-(4-tert-butylphenyl)but-3-en-1-amine (PubChem CID 112693451) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)but-3-en-1-amine
PubChem CID112693451
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(4-tert-butylphenyl)but-3-en-1-amine
SMILESC=CCC(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H21N/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4/h5,7-10,13H,1,6,15H2,2-4H3
InChIKeyCUVWUPKBZBPNEV-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-tert-butylphenyl)but-3-en-1-amine;hydrochloride
CID 171201850
(1S)-1-(4-tert-butylphenyl)pent-4-en-1-amine
CID 171221408
(1R)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]but-3-en-1-amine;hydrochloride
CID 171214813
4-[(1S)-1-aminobut-3-enyl]-N,N-dimethylaniline
CID 55270314
(1R)-1-(4-ethylphenyl)but-3-en-1-amine;hydrochloride
CID 171211217
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
(1R)-1-(4-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 171212189
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
(1S)-1-(4-tert-butylphenyl)prop-2-en-1-amine;hydrochloride
CID 171221389
(1S)-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine;hydrochloride
CID 171230366
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226815

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)but-3-en-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)but-3-en-1-amine (CID 112693451) is 1-(4-tert-butylphenyl)but-3-en-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)but-3-en-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)but-3-en-1-amine is C=CCC(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)but-3-en-1-amine?
The InChIKey is CUVWUPKBZBPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-6-13(15)11-7-9-12(10-8-11)14(2,3)4/h5,7-10,13H,1,6,15H2,2-4H3.
What are the key properties of 1-(4-tert-butylphenyl)but-3-en-1-amine?
1-(4-tert-butylphenyl)but-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)but-3-en-1-amine is sourced from PubChem (CID 112693451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).