1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine

C17H27N — CID 79189836

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H27N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,16H,1,10,18H2,2-7H3
InChIKeyYJRNJQVCYYPBPN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine

1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine (PubChem CID 79189836) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
PubChem CID79189836
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C17H27N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,16H,1,10,18H2,2-7H3
InChIKeyYJRNJQVCYYPBPN-UHFFFAOYSA-N
XLogP4.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.05
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

2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629
[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105197853
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
2-(4-tert-butyl-2,6-dimethylphenyl)-1-phenylethanamine
CID 60818981
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
CID 105197829
4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 116924866
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
[1-(4-tert-butyl-2,6-dimethylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105197851
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
1-(4-tert-butyl-2,6-dimethylphenyl)hept-5-yn-2-amine
CID 104804478

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine (CID 79189836) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine is C=C(C)C(N)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine?
The InChIKey is YJRNJQVCYYPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,16H,1,10,18H2,2-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine has a molecular weight of 245.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 79189836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).