N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine

C23H39N — CID 68611089

IUPACN-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
SMILESC=Cc1ccc(CCN(C(C)(C)CC)C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C23H39N/c1-10-19-12-14-20(15-13-19)16-17-24(22(6,7)11-2)23(8,9)18-21(3,4)5/h10,12-15H,1,11,16-18H2,2-9H3
InChIKeyHWMFBJAATDMKGJ-UHFFFAOYSA-N
MW329.57 g/mol
LogP6.58
Rot. Bonds8

About N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine

N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine (PubChem CID 68611089) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
PubChem CID68611089
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC NameN-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
SMILESC=Cc1ccc(CCN(C(C)(C)CC)C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C23H39N/c1-10-19-12-14-20(15-13-19)16-17-24(22(6,7)11-2)23(8,9)18-21(3,4)5/h10,12-15H,1,11,16-18H2,2-9H3
InChIKeyHWMFBJAATDMKGJ-UHFFFAOYSA-N
XLogP6.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The IUPAC name of N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine (CID 68611089) is N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine.
What is the SMILES notation for N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The canonical SMILES for N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine is C=Cc1ccc(CCN(C(C)(C)CC)C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The InChIKey is HWMFBJAATDMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N/c1-10-19-12-14-20(15-13-19)16-17-24(22(6,7)11-2)23(8,9)18-21(3,4)5/h10,12-15H,1,11,16-18H2,2-9H3.
What are the key properties of N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine has a molecular weight of 329.57 g/mol, XLogP of 6.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethenylphenyl)ethyl]-2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine is sourced from PubChem (CID 68611089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).