(1R)-2-iminocyclohexan-1-amine

C6H12N2 — CID 58595899

IUPAC(1R)-2-iminocyclohexan-1-amine
SMILES[H]/N=C1\CCCC[C@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+/t5-/m1/s1
InChIKeyWJGYKFVULKNSOB-KITRQZPWSA-N
MW112.18 g/mol
LogP0.91
Rot. Bonds

About (1R)-2-iminocyclohexan-1-amine

(1R)-2-iminocyclohexan-1-amine (PubChem CID 58595899) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (1R)-2-iminocyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-2-iminocyclohexan-1-amine
PubChem CID58595899
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(1R)-2-iminocyclohexan-1-amine
SMILES[H]/N=C1\CCCC[C@H]1N
InChIInChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+/t5-/m1/s1
InChIKeyWJGYKFVULKNSOB-KITRQZPWSA-N
XLogP0.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R)-2-iminocyclohexan-1-amine?
The IUPAC name of (1R)-2-iminocyclohexan-1-amine (CID 58595899) is (1R)-2-iminocyclohexan-1-amine.
What is the SMILES notation for (1R)-2-iminocyclohexan-1-amine?
The canonical SMILES for (1R)-2-iminocyclohexan-1-amine is [H]/N=C1\CCCC[C@H]1N.
What is the InChIKey of (1R)-2-iminocyclohexan-1-amine?
The InChIKey is WJGYKFVULKNSOB-KITRQZPWSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-1-2-4-6(5)8/h5,8H,1-4,7H2/b8-6+/t5-/m1/s1.
What are the key properties of (1R)-2-iminocyclohexan-1-amine?
(1R)-2-iminocyclohexan-1-amine has a molecular weight of 112.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-iminocyclohexan-1-amine is sourced from PubChem (CID 58595899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).