N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine

C19H31N — CID 163549393

IUPACN-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)Cc1c(C)c(C)c(C)c(C)c1C(C)(C)C
InChIInChI=1S/C19H31N/c1-12(2)20(10)11-17-15(5)13(3)14(4)16(6)18(17)19(7,8)9/h1,11H2,2-10H3
InChIKeyFHTPSEFESYHEHX-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.18
Rot. Bonds3

About N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine

N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine (PubChem CID 163549393) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine
PubChem CID163549393
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine
SMILESC=C(C)N(C)Cc1c(C)c(C)c(C)c(C)c1C(C)(C)C
InChIInChI=1S/C19H31N/c1-12(2)20(10)11-17-15(5)13(3)14(4)16(6)18(17)19(7,8)9/h1,11H2,2-10H3
InChIKeyFHTPSEFESYHEHX-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine?
The IUPAC name of N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine (CID 163549393) is N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine?
The canonical SMILES for N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine is C=C(C)N(C)Cc1c(C)c(C)c(C)c(C)c1C(C)(C)C.
What is the InChIKey of N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine?
The InChIKey is FHTPSEFESYHEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-12(2)20(10)11-17-15(5)13(3)14(4)16(6)18(17)19(7,8)9/h1,11H2,2-10H3.
What are the key properties of N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine?
N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine has a molecular weight of 273.46 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine is sourced from PubChem (CID 163549393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).