2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine

C15H23N — CID 102640281

IUPAC2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23N/c1-6-15(5,10-16)9-14-12(3)7-11(2)8-13(14)4/h6-8H,1,9-10,16H2,2-5H3
InChIKeyIFZSUOQPNQOOKD-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine

2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine (PubChem CID 102640281) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
PubChem CID102640281
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CN)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23N/c1-6-15(5,10-16)9-14-12(3)7-11(2)8-13(14)4/h6-8H,1,9-10,16H2,2-5H3
InChIKeyIFZSUOQPNQOOKD-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine (CID 102640281) is 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine is C=CC(C)(CN)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine?
The InChIKey is IFZSUOQPNQOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-6-15(5,10-16)9-14-12(3)7-11(2)8-13(14)4/h6-8H,1,9-10,16H2,2-5H3.
What are the key properties of 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine?
2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,6-trimethylphenyl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102640281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).