diamino-cyclohex-2-en-1-yl-methylazanium

C7H16N3+ — CID 163616677

IUPACdiamino-cyclohex-2-en-1-yl-methylazanium
SMILESC[N+](N)(N)C1C=CCCC1
InChIInChI=1S/C7H16N3/c1-10(8,9)7-5-3-2-4-6-7/h3,5,7H,2,4,6,8-9H2,1H3/q+1
InChIKeyVQYPJQVNTPTDSG-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.29
Rot. Bonds1

About diamino-cyclohex-2-en-1-yl-methylazanium

diamino-cyclohex-2-en-1-yl-methylazanium (PubChem CID 163616677) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is diamino-cyclohex-2-en-1-yl-methylazanium.

Molecular Properties

Compound Namediamino-cyclohex-2-en-1-yl-methylazanium
PubChem CID163616677
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Namediamino-cyclohex-2-en-1-yl-methylazanium
SMILESC[N+](N)(N)C1C=CCCC1
InChIInChI=1S/C7H16N3/c1-10(8,9)7-5-3-2-4-6-7/h3,5,7H,2,4,6,8-9H2,1H3/q+1
InChIKeyVQYPJQVNTPTDSG-UHFFFAOYSA-N
XLogP0.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diamino-cyclohex-2-en-1-yl-methylazanium?
The IUPAC name of diamino-cyclohex-2-en-1-yl-methylazanium (CID 163616677) is diamino-cyclohex-2-en-1-yl-methylazanium.
What is the SMILES notation for diamino-cyclohex-2-en-1-yl-methylazanium?
The canonical SMILES for diamino-cyclohex-2-en-1-yl-methylazanium is C[N+](N)(N)C1C=CCCC1.
What is the InChIKey of diamino-cyclohex-2-en-1-yl-methylazanium?
The InChIKey is VQYPJQVNTPTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3/c1-10(8,9)7-5-3-2-4-6-7/h3,5,7H,2,4,6,8-9H2,1H3/q+1.
What are the key properties of diamino-cyclohex-2-en-1-yl-methylazanium?
diamino-cyclohex-2-en-1-yl-methylazanium has a molecular weight of 142.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-cyclohex-2-en-1-yl-methylazanium is sourced from PubChem (CID 163616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).