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

C7H11N — CID 20551076

IUPAC1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC=CC1
InChIInChI=1S/C7H11N/c1-7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyAWZBZYRFTSPJSH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.22
Rot. Bonds

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

1-methylcyclohexa-2,4-dien-1-amine (PubChem CID 20551076) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methylcyclohexa-2,4-dien-1-amine
PubChem CID20551076
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-methylcyclohexa-2,4-dien-1-amine
SMILESCC1(N)C=CC=CC1
InChIInChI=1S/C7H11N/c1-7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyAWZBZYRFTSPJSH-UHFFFAOYSA-N
XLogP1.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Dimethylcyclohexa-2,4-dien-1-amine
CID 20236232
1,6-Dimethylaniline
CID 20569504
3,5-Cyclohexadiene-1,2-diamine, 1,2-dimethyl-
CID 21256694
Orthotoluylendiamin
CID 55283794
meta-Toluene diamine
CID 55284788
4-Methylcyclohexa-1,5-diene-1,4-diamine
CID 66586202
4,4-Diaminophenylmethane
CID 66854563
p-Dimethyltoluidin
CID 68727939
Dihydrotoluidin
CID 89012782
o-Dimethyltoluidin
CID 89263458
1,2-Dimethylaniline
CID 129630761
m-Dimethylaniline
CID 129681001

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methylcyclohexa-2,4-dien-1-amine (CID 20551076) is 1-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methylcyclohexa-2,4-dien-1-amine is CC1(N)C=CC=CC1.
What is the InChIKey of 1-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is AWZBZYRFTSPJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3.
What are the key properties of 1-methylcyclohexa-2,4-dien-1-amine?
1-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 20551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).