1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine

C20H33N — CID 63413264

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
SMILESC=CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NCCC
InChIInChI=1S/C20H33N/c1-8-10-18(21-11-9-2)14-19-15(3)12-17(13-16(19)4)20(5,6)7/h8,12-13,18,21H,1,9-11,14H2,2-7H3
InChIKeyYYHBTMLCCMLNGN-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.09
Rot. Bonds7

About 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine

1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine (PubChem CID 63413264) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
PubChem CID63413264
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
SMILESC=CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NCCC
InChIInChI=1S/C20H33N/c1-8-10-18(21-11-9-2)14-19-15(3)12-17(13-16(19)4)20(5,6)7/h8,12-13,18,21H,1,9-11,14H2,2-7H3
InChIKeyYYHBTMLCCMLNGN-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.09
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

1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
CID 63413266
N-propylhepta-1,6-dien-4-amine
CID 88756960
1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
CID 116660854
1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
CID 105197829
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
5-methoxy-N-propyl-1-(2,4,6-trimethylphenyl)hexan-2-amine
CID 105120818
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
N-propyl-1-quinolin-2-ylpent-4-en-2-amine
CID 116661099
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine (CID 63413264) is 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine is C=CCC(Cc1c(C)cc(C(C)(C)C)cc1C)NCCC.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine?
The InChIKey is YYHBTMLCCMLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-8-10-18(21-11-9-2)14-19-15(3)12-17(13-16(19)4)20(5,6)7/h8,12-13,18,21H,1,9-11,14H2,2-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine?
1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.09, 7 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)-N-propylpent-4-en-2-amine is sourced from PubChem (CID 63413264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).