5-methylcyclohexa-1,3-dien-1-amine

C7H11N — CID 67612284

IUPAC5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N)C1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2-4,6H,5,8H2,1H3
InChIKeySDOWKYUZFYTEHI-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.42
Rot. Bonds

About 5-methylcyclohexa-1,3-dien-1-amine

5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 67612284) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methylcyclohexa-1,3-dien-1-amine
PubChem CID67612284
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC=C(N)C1
InChIInChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2-4,6H,5,8H2,1H3
InChIKeySDOWKYUZFYTEHI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methylcyclohexa-1,3-dien-1-amine (CID 67612284) is 5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methylcyclohexa-1,3-dien-1-amine is CC1C=CC=C(N)C1.
What is the InChIKey of 5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is SDOWKYUZFYTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-3-2-4-7(8)5-6/h2-4,6H,5,8H2,1H3.
What are the key properties of 5-methylcyclohexa-1,3-dien-1-amine?
5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 67612284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).