4-diazenylcyclohexan-1-amine

C6H13N3 — CID 153231015

IUPAC4-diazenylcyclohexan-1-amine
SMILES[H]/N=N/C1CCC(N)CC1
InChIInChI=1S/C6H13N3/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4,7H2/b9-8+
InChIKeyWPOGLIHAHVVESP-CMDGGOBGSA-N
MW127.19 g/mol
LogP1.29
Rot. Bonds1

About 4-diazenylcyclohexan-1-amine

4-diazenylcyclohexan-1-amine (PubChem CID 153231015) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-diazenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-diazenylcyclohexan-1-amine
PubChem CID153231015
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-diazenylcyclohexan-1-amine
SMILES[H]/N=N/C1CCC(N)CC1
InChIInChI=1S/C6H13N3/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4,7H2/b9-8+
InChIKeyWPOGLIHAHVVESP-CMDGGOBGSA-N
XLogP1.29
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazenylcyclohexan-1-amine?
The IUPAC name of 4-diazenylcyclohexan-1-amine (CID 153231015) is 4-diazenylcyclohexan-1-amine.
What is the SMILES notation for 4-diazenylcyclohexan-1-amine?
The canonical SMILES for 4-diazenylcyclohexan-1-amine is [H]/N=N/C1CCC(N)CC1.
What is the InChIKey of 4-diazenylcyclohexan-1-amine?
The InChIKey is WPOGLIHAHVVESP-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H13N3/c7-5-1-3-6(9-8)4-2-5/h5-6,8H,1-4,7H2/b9-8+.
What are the key properties of 4-diazenylcyclohexan-1-amine?
4-diazenylcyclohexan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenylcyclohexan-1-amine is sourced from PubChem (CID 153231015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).