(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine

C13H19N — CID 83530633

IUPAC(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine
SMILESC/C(=C\CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H19N/c1-9-7-11(3)13(12(4)8-9)10(2)5-6-14/h5,7-8H,6,14H2,1-4H3/b10-5+
InChIKeyCUTYKNJGTDVQDT-BJMVGYQFSA-N
MW189.30 g/mol
LogP2.97
Rot. Bonds2

About (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine

(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine (PubChem CID 83530633) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine
PubChem CID83530633
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine
SMILESC/C(=C\CN)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H19N/c1-9-7-11(3)13(12(4)8-9)10(2)5-6-14/h5,7-8H,6,14H2,1-4H3/b10-5+
InChIKeyCUTYKNJGTDVQDT-BJMVGYQFSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
CID 102094486
(E)-3-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 82048650
(2Z,4E)-2-amino-5-(2,4,6-trimethylphenyl)hexa-2,4-dienimidamide
CID 143882547
1,3,5-trimethyl-2-[1-(2,4,6-trimethylphenyl)pent-1-enyl]benzene
CID 101417332
(Z)-4-(2-fluoro-4,6-dimethylphenyl)-N-propan-2-ylpent-3-en-1-amine
CID 106882828
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
(Z)-3-hydroxy-2-(2,4,6-trimethylphenyl)but-2-enoic acid
CID 54716620
prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
CID 173446962
9-naphthalen-2-yl-10-[10-[(2E,4E)-2-(2,4,6-trimethylphenyl)hepta-2,4-dien-4-yl]anthracen-9-yl]anthracene
CID 143046184

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine?
The IUPAC name of (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine (CID 83530633) is (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine?
The canonical SMILES for (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine is C/C(=C\CN)c1c(C)cc(C)cc1C.
What is the InChIKey of (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine?
The InChIKey is CUTYKNJGTDVQDT-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H19N/c1-9-7-11(3)13(12(4)8-9)10(2)5-6-14/h5,7-8H,6,14H2,1-4H3/b10-5+.
What are the key properties of (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine?
(E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4,6-trimethylphenyl)but-2-en-1-amine is sourced from PubChem (CID 83530633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).