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

C7H11N — CID 19080118

IUPAC4-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C=C1
InChIInChI=1S/C7H11N/c1-6-2-4-7(8)5-3-6/h2-4,7H,5,8H2,1H3
InChIKeyVCAZSXZXLRVCCQ-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.22
Rot. Bonds

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

4-methylcyclohexa-2,4-dien-1-amine (PubChem CID 19080118) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methylcyclohexa-2,4-dien-1-amine
PubChem CID19080118
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-methylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(N)C=C1
InChIInChI=1S/C7H11N/c1-6-2-4-7(8)5-3-6/h2-4,7H,5,8H2,1H3
InChIKeyVCAZSXZXLRVCCQ-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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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methylcyclohexa-2,4-dien-1-amine (CID 19080118) is 4-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methylcyclohexa-2,4-dien-1-amine is CC1=CCC(N)C=C1.
What is the InChIKey of 4-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is VCAZSXZXLRVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-2-4-7(8)5-3-6/h2-4,7H,5,8H2,1H3.
What are the key properties of 4-methylcyclohexa-2,4-dien-1-amine?
4-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 4-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 19080118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).