6-methylidenecyclohexa-2,4-diene-1,1-diamine

C7H10N2 — CID 174404838

IUPAC6-methylidenecyclohexa-2,4-diene-1,1-diamine
SMILESC=C1C=CC=CC1(N)N
InChIInChI=1S/C7H10N2/c1-6-4-2-3-5-7(6,8)9/h2-5H,1,8-9H2
InChIKeyAFYOSINJBPHJKX-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.28
Rot. Bonds

About 6-methylidenecyclohexa-2,4-diene-1,1-diamine

6-methylidenecyclohexa-2,4-diene-1,1-diamine (PubChem CID 174404838) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-methylidenecyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name6-methylidenecyclohexa-2,4-diene-1,1-diamine
PubChem CID174404838
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-methylidenecyclohexa-2,4-diene-1,1-diamine
SMILESC=C1C=CC=CC1(N)N
InChIInChI=1S/C7H10N2/c1-6-4-2-3-5-7(6,8)9/h2-5H,1,8-9H2
InChIKeyAFYOSINJBPHJKX-UHFFFAOYSA-N
XLogP0.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidenecyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 6-methylidenecyclohexa-2,4-diene-1,1-diamine (CID 174404838) is 6-methylidenecyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 6-methylidenecyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 6-methylidenecyclohexa-2,4-diene-1,1-diamine is C=C1C=CC=CC1(N)N.
What is the InChIKey of 6-methylidenecyclohexa-2,4-diene-1,1-diamine?
The InChIKey is AFYOSINJBPHJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-4-2-3-5-7(6,8)9/h2-5H,1,8-9H2.
What are the key properties of 6-methylidenecyclohexa-2,4-diene-1,1-diamine?
6-methylidenecyclohexa-2,4-diene-1,1-diamine has a molecular weight of 122.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenecyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 174404838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).