4-(methylideneamino)cyclohexa-1,5-dien-1-amine

C7H10N2 — CID 138495141

IUPAC4-(methylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=NC1C=CC(N)=CC1
InChIInChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-4,7H,1,5,8H2
InChIKeyWQHMCMNRAJJZQB-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds1

About 4-(methylideneamino)cyclohexa-1,5-dien-1-amine

4-(methylideneamino)cyclohexa-1,5-dien-1-amine (PubChem CID 138495141) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-(methylideneamino)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(methylideneamino)cyclohexa-1,5-dien-1-amine
PubChem CID138495141
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-(methylideneamino)cyclohexa-1,5-dien-1-amine
SMILESC=NC1C=CC(N)=CC1
InChIInChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-4,7H,1,5,8H2
InChIKeyWQHMCMNRAJJZQB-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(methylideneamino)cyclohexa-1,5-dien-1-amine (CID 138495141) is 4-(methylideneamino)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(methylideneamino)cyclohexa-1,5-dien-1-amine is C=NC1C=CC(N)=CC1.
What is the InChIKey of 4-(methylideneamino)cyclohexa-1,5-dien-1-amine?
The InChIKey is WQHMCMNRAJJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-4,7H,1,5,8H2.
What are the key properties of 4-(methylideneamino)cyclohexa-1,5-dien-1-amine?
4-(methylideneamino)cyclohexa-1,5-dien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylideneamino)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 138495141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).