cyclohexa-2,4-diene-1,1-diamine;methanamine

C7H15N3 — CID 174570033

IUPACcyclohexa-2,4-diene-1,1-diamine;methanamine
SMILESCN.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.CH5N/c7-6(8)4-2-1-3-5-6;1-2/h1-4H,5,7-8H2;2H2,1H3
InChIKeyMOIHERQMKUNMPN-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.31
Rot. Bonds

About cyclohexa-2,4-diene-1,1-diamine;methanamine

cyclohexa-2,4-diene-1,1-diamine;methanamine (PubChem CID 174570033) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1-diamine;methanamine.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1-diamine;methanamine
PubChem CID174570033
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Namecyclohexa-2,4-diene-1,1-diamine;methanamine
SMILESCN.NC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2.CH5N/c7-6(8)4-2-1-3-5-6;1-2/h1-4H,5,7-8H2;2H2,1H3
InChIKeyMOIHERQMKUNMPN-UHFFFAOYSA-N
XLogP-0.31
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 cyclohexa-2,4-diene-1,1-diamine;methanamine?
The IUPAC name of cyclohexa-2,4-diene-1,1-diamine;methanamine (CID 174570033) is cyclohexa-2,4-diene-1,1-diamine;methanamine.
What is the SMILES notation for cyclohexa-2,4-diene-1,1-diamine;methanamine?
The canonical SMILES for cyclohexa-2,4-diene-1,1-diamine;methanamine is CN.NC1(N)C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1,1-diamine;methanamine?
The InChIKey is MOIHERQMKUNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH5N/c7-6(8)4-2-1-3-5-6;1-2/h1-4H,5,7-8H2;2H2,1H3.
What are the key properties of cyclohexa-2,4-diene-1,1-diamine;methanamine?
cyclohexa-2,4-diene-1,1-diamine;methanamine has a molecular weight of 141.22 g/mol, XLogP of -0.31, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1-diamine;methanamine is sourced from PubChem (CID 174570033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).