2,4-diiminocyclohexan-1-amine

C6H11N3 — CID 91437739

IUPAC2,4-diiminocyclohexan-1-amine
SMILES[H]/N=C1\CCC(N)/C(=N/[H])C1
InChIInChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h5,7,9H,1-3,8H2/b7-4+,9-6+
InChIKeyCNAAFMKLPKRYLH-KRHXFINASA-N
MW125.17 g/mol
LogP0.54
Rot. Bonds

About 2,4-diiminocyclohexan-1-amine

2,4-diiminocyclohexan-1-amine (PubChem CID 91437739) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,4-diiminocyclohexan-1-amine.

Molecular Properties

Compound Name2,4-diiminocyclohexan-1-amine
PubChem CID91437739
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2,4-diiminocyclohexan-1-amine
SMILES[H]/N=C1\CCC(N)/C(=N/[H])C1
InChIInChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h5,7,9H,1-3,8H2/b7-4+,9-6+
InChIKeyCNAAFMKLPKRYLH-KRHXFINASA-N
XLogP0.54
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2,4-diiminocyclohexan-1-amine?
The IUPAC name of 2,4-diiminocyclohexan-1-amine (CID 91437739) is 2,4-diiminocyclohexan-1-amine.
What is the SMILES notation for 2,4-diiminocyclohexan-1-amine?
The canonical SMILES for 2,4-diiminocyclohexan-1-amine is [H]/N=C1\CCC(N)/C(=N/[H])C1.
What is the InChIKey of 2,4-diiminocyclohexan-1-amine?
The InChIKey is CNAAFMKLPKRYLH-KRHXFINASA-N. The full InChI is InChI=1S/C6H11N3/c7-4-1-2-5(8)6(9)3-4/h5,7,9H,1-3,8H2/b7-4+,9-6+.
What are the key properties of 2,4-diiminocyclohexan-1-amine?
2,4-diiminocyclohexan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiminocyclohexan-1-amine is sourced from PubChem (CID 91437739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).