4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine

C13H21N — CID 144895148

IUPAC4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
SMILESCC/C=C/c1ccc(C)c(C)c1.CN
InChIInChI=1S/C12H16.CH5N/c1-4-5-6-12-8-7-10(2)11(3)9-12;1-2/h5-9H,4H2,1-3H3;2H2,1H3/b6-5+;
InChIKeyZYNJQOMXXWTIGO-IPZCTEOASA-N
MW191.32 g/mol
LogP3.30
Rot. Bonds2

About 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine

4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine (PubChem CID 144895148) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
PubChem CID144895148
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
SMILESCC/C=C/c1ccc(C)c(C)c1.CN
InChIInChI=1S/C12H16.CH5N/c1-4-5-6-12-8-7-10(2)11(3)9-12;1-2/h5-9H,4H2,1-3H3;2H2,1H3/b6-5+;
InChIKeyZYNJQOMXXWTIGO-IPZCTEOASA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
4-[(E)-but-1-enyl]-2-methoxyaniline
CID 170101265
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
6-[(E)-but-1-enyl]-4-methylquinoline
CID 176872163
(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385230
5-but-1-enyl-2-methoxyphenol
CID 154188368

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine?
The IUPAC name of 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine (CID 144895148) is 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine.
What is the SMILES notation for 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine?
The canonical SMILES for 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine is CC/C=C/c1ccc(C)c(C)c1.CN.
What is the InChIKey of 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine?
The InChIKey is ZYNJQOMXXWTIGO-IPZCTEOASA-N. The full InChI is InChI=1S/C12H16.CH5N/c1-4-5-6-12-8-7-10(2)11(3)9-12;1-2/h5-9H,4H2,1-3H3;2H2,1H3/b6-5+;.
What are the key properties of 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine?
4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine has a molecular weight of 191.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine is sourced from PubChem (CID 144895148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).