cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine

C12H18N4 — CID 168893818

IUPACcis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine
SMILES[H]/N=C(\[C@H]1CCC[C@@H](N)C1)n1cccc/c1=N\[H]
InChIInChI=1S/C12H18N4/c13-10-5-3-4-9(8-10)12(15)16-7-2-1-6-11(16)14/h1-2,6-7,9-10,14-15H,3-5,8,13H2/b14-11+,15-12+/t9-,10+/m0/s1
InChIKeyKMWNMYZXYXTZBD-CLGGSONYSA-N
MW218.30 g/mol
LogP1.31
Rot. Bonds1

About cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine

cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine (PubChem CID 168893818) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine
PubChem CID168893818
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Namecis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine
SMILES[H]/N=C(\[C@H]1CCC[C@@H](N)C1)n1cccc/c1=N\[H]
InChIInChI=1S/C12H18N4/c13-10-5-3-4-9(8-10)12(15)16-7-2-1-6-11(16)14/h1-2,6-7,9-10,14-15H,3-5,8,13H2/b14-11+,15-12+/t9-,10+/m0/s1
InChIKeyKMWNMYZXYXTZBD-CLGGSONYSA-N
XLogP1.31
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine (CID 168893818) is cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine is [H]/N=C(\[C@H]1CCC[C@@H](N)C1)n1cccc/c1=N\[H].
What is the InChIKey of cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine?
The InChIKey is KMWNMYZXYXTZBD-CLGGSONYSA-N. The full InChI is InChI=1S/C12H18N4/c13-10-5-3-4-9(8-10)12(15)16-7-2-1-6-11(16)14/h1-2,6-7,9-10,14-15H,3-5,8,13H2/b14-11+,15-12+/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine?
cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2-iminopyridine-1-carboximidoyl)cyclohexan-1-amine is sourced from PubChem (CID 168893818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).