N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine

C9H13N — CID 143015528

IUPACN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine
SMILESC=CNC1=CC=C(C)CC1
InChIInChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyGYEAEQRBLACWBZ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.34
Rot. Bonds2

About N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine

N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine (PubChem CID 143015528) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine
PubChem CID143015528
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine
SMILESC=CNC1=CC=C(C)CC1
InChIInChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h3-4,6,10H,1,5,7H2,2H3
InChIKeyGYEAEQRBLACWBZ-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 144542686
ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide
CID 163229347
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
N-ethenylcyclohexen-1-amine
CID 67050822
N-ethenyl-5-methylcyclohexa-1,3-dien-1-amine
CID 146385734
4-methyl-N-[4-[1-methyl-5-[4-[(4-methylcyclohexa-1,3-dien-1-yl)amino]phenyl]pyrrol-2-yl]phenyl]aniline
CID 154692023
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
1-[(E)-but-2-en-2-yl]-4-methylcyclohexa-1,3-diene
CID 142494440

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine (CID 143015528) is N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine is C=CNC1=CC=C(C)CC1.
What is the InChIKey of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is GYEAEQRBLACWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h3-4,6,10H,1,5,7H2,2H3.
What are the key properties of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine?
N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143015528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).