4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine

C9H13N — CID 142879506

IUPAC4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESC=CC1=CC(C)C(N)C=C1
InChIInChI=1S/C9H13N/c1-3-8-4-5-9(10)7(2)6-8/h3-7,9H,1,10H2,2H3
InChIKeyHOMLOJZLOIQLBJ-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.63
Rot. Bonds1

About 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine

4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 142879506) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID142879506
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESC=CC1=CC(C)C(N)C=C1
InChIInChI=1S/C9H13N/c1-3-8-4-5-9(10)7(2)6-8/h3-7,9H,1,10H2,2H3
InChIKeyHOMLOJZLOIQLBJ-UHFFFAOYSA-N
XLogP1.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4-ethenyl-6-methylcyclohexa-2,4-diene-1-carbonitrile
CID 146499136
4-ethenylcyclohepta-2,4-dien-6-yn-1-amine
CID 163519668
5-ethenyl-1,2-dimethyl-2H-pyridine
CID 69342103
5-ethenyl-1-ethyl-2-methyl-2H-pyridine
CID 71363427
(4-amino-3-methylcyclohexa-1,5-dien-1-yl)-(4-aminophenyl)methanone
CID 163921713
1-(3-ethenyl-6-ethoxycyclohexa-2,4-dien-1-yl)oxyethanol
CID 163610309
(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
CID 163663625
6-(4-ethenyl-6-methylcyclohexa-2,4-dien-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)-N,9-diphenylcarbazol-3-amine
CID 166997919
6-bromo-2-ethenylcyclohexa-1,3-diene
CID 143292722
(1S)-4-[4-(2,4-difluorophenyl)-2-fluorophenyl]-6-methylcyclohexa-2,4-dien-1-amine
CID 170132338
4a,8a-dihydronaphthalene-2-carbaldehyde
CID 45083972

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine (CID 142879506) is 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine is C=CC1=CC(C)C(N)C=C1.
What is the InChIKey of 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is HOMLOJZLOIQLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-8-4-5-9(10)7(2)6-8/h3-7,9H,1,10H2,2H3.
What are the key properties of 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine?
4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142879506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).