6-methylidenecyclohexa-2,4-dien-1-amine

C7H9N — CID 70393655

IUPAC6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5,7H,1,8H2
InChIKeySJWBWCNKADNPGC-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.00
Rot. Bonds

About 6-methylidenecyclohexa-2,4-dien-1-amine

6-methylidenecyclohexa-2,4-dien-1-amine (PubChem CID 70393655) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 6-methylidenecyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methylidenecyclohexa-2,4-dien-1-amine
PubChem CID70393655
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=CC=CC1N
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5,7H,1,8H2
InChIKeySJWBWCNKADNPGC-UHFFFAOYSA-N
XLogP1.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 17753774
CID 17753774
1H-Anilin
CID 15267068
3,4-Dihydrophenylethyl-amine
CID 21074092
3,4-Dihydrobenzylamine
CID 21950499
p-Dimethylphenylendiamin
CID 53423794
1-Cyclohexa-1,5-dien-1-ylpropan-2-amine
CID 53774715
Orthotoluylendiamin
CID 55283794
o-Aminophenylenediamine
CID 70527256
Amino benzocycloheptene
CID 87495729
o-Carbonyl aniline
CID 87556812
Dihydrotoluidin
CID 89012782
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318

Frequently Asked Questions

What is the IUPAC name of 6-methylidenecyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methylidenecyclohexa-2,4-dien-1-amine (CID 70393655) is 6-methylidenecyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methylidenecyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methylidenecyclohexa-2,4-dien-1-amine is C=C1C=CC=CC1N.
What is the InChIKey of 6-methylidenecyclohexa-2,4-dien-1-amine?
The InChIKey is SJWBWCNKADNPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5,7H,1,8H2.
What are the key properties of 6-methylidenecyclohexa-2,4-dien-1-amine?
6-methylidenecyclohexa-2,4-dien-1-amine has a molecular weight of 107.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenecyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70393655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).