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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Related Compounds

CID 89624425
CID 89624425
CID 169840789
CID 169840789
CID 169840914
CID 169840914
CID 134299817
CID 134299817
CID 144278111
CID 144278111
CID 168893732
CID 168893732
CID 168893821
CID 168893821
CID 169842844
CID 169842844
CID 169844447
CID 169844447
CID 169848761
CID 169848761
CID 174065434
CID 174065434

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).