ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine

C18H27N — CID 143893510

IUPACethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine
SMILESC=Cc1ccc(C)cc1.CC.CC1=CC=C(N)CC1
InChIInChI=1S/C9H10.C7H11N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7(8)5-3-6;1-2/h3-7H,1H2,2H3;2,4H,3,5,8H2,1H3;1-2H3
InChIKeyIMJYKKSXAIGORY-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.23
Rot. Bonds1

About ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine

ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine (PubChem CID 143893510) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine
PubChem CID143893510
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine
SMILESC=Cc1ccc(C)cc1.CC.CC1=CC=C(N)CC1
InChIInChI=1S/C9H10.C7H11N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7(8)5-3-6;1-2/h3-7H,1H2,2H3;2,4H,3,5,8H2,1H3;1-2H3
InChIKeyIMJYKKSXAIGORY-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
1-ethenyl-4-methylbenzene;methanamine
CID 23466173
1-ethenyl-4-methylbenzene;methane
CID 142136023
CID 174976037
CID 174976037
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
bis(1-ethenyl-4-methylbenzene);formaldehyde
CID 144930982
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1,3-bis(ethenyl)-5-methylbenzene;1-ethenyl-4-methylbenzene
CID 158777597
(4-ethenylphenyl)-bis(4-methylphenyl)bismuthane
CID 11477443
dihydroxy(oxo)phosphanium;1-ethenyl-4-methylbenzene
CID 175432319
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine (CID 143893510) is ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine is C=Cc1ccc(C)cc1.CC.CC1=CC=C(N)CC1.
What is the InChIKey of ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is IMJYKKSXAIGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H11N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6-2-4-7(8)5-3-6;1-2/h3-7H,1H2,2H3;2,4H,3,5,8H2,1H3;1-2H3.
What are the key properties of ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine?
ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 257.42 g/mol, XLogP of 5.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-methylbenzene;4-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143893510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).