4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine

C24H41N — CID 134593388

IUPAC4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine
SMILESC=C(CC)c1ccc(CCC(C)CN(CC(C)C)CC(C)CC)cc1
InChIInChI=1S/C24H41N/c1-8-20(5)17-25(16-19(3)4)18-21(6)10-11-23-12-14-24(15-13-23)22(7)9-2/h12-15,19-21H,7-11,16-18H2,1-6H3
InChIKeyULJSBKSKKLHMIJ-UHFFFAOYSA-N
MW343.60 g/mol
LogP6.68
Rot. Bonds12

About 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine

4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 134593388) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID134593388
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine
SMILESC=C(CC)c1ccc(CCC(C)CN(CC(C)C)CC(C)CC)cc1
InChIInChI=1S/C24H41N/c1-8-20(5)17-25(16-19(3)4)18-21(6)10-11-23-12-14-24(15-13-23)22(7)9-2/h12-15,19-21H,7-11,16-18H2,1-6H3
InChIKeyULJSBKSKKLHMIJ-UHFFFAOYSA-N
XLogP6.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine (CID 134593388) is 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine is C=C(CC)c1ccc(CCC(C)CN(CC(C)C)CC(C)CC)cc1.
What is the InChIKey of 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ULJSBKSKKLHMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N/c1-8-20(5)17-25(16-19(3)4)18-21(6)10-11-23-12-14-24(15-13-23)22(7)9-2/h12-15,19-21H,7-11,16-18H2,1-6H3.
What are the key properties of 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine?
4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 343.60 g/mol, XLogP of 6.68, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 134593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).