cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine

C18H20N4 — CID 122530328

IUPACcis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
SMILESN[C@H]1CCC(=Cc2ccccn2)C(=Cc2ccccn2)[C@@H]1N
InChIInChI=1S/C18H20N4/c19-17-8-7-13(11-14-5-1-3-9-21-14)16(18(17)20)12-15-6-2-4-10-22-15/h1-6,9-12,17-18H,7-8,19-20H2/t17-,18-/m0/s1
InChIKeyPBHXXKYMDXPPHR-ROUUACIJSA-N
MW292.39 g/mol
LogP2.39
Rot. Bonds2

About cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine

cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine (PubChem CID 122530328) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
PubChem CID122530328
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Namecis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
SMILESN[C@H]1CCC(=Cc2ccccn2)C(=Cc2ccccn2)[C@@H]1N
InChIInChI=1S/C18H20N4/c19-17-8-7-13(11-14-5-1-3-9-21-14)16(18(17)20)12-15-6-2-4-10-22-15/h1-6,9-12,17-18H,7-8,19-20H2/t17-,18-/m0/s1
InChIKeyPBHXXKYMDXPPHR-ROUUACIJSA-N
XLogP2.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
3-(pyridin-2-ylmethylidene)piperidin-4-one
CID 90686045
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
1,7,7-trimethyl-3-(pyridin-2-ylmethylidene)bicyclo[2.2.1]heptan-2-one
CID 54284598
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
CID 71072571
5-methyl-2-(pyridin-2-ylmethylidene)azepane
CID 91988420
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
6-methyl-2-(pyridin-2-ylmethylidene)azepane
CID 165355645
2-[(Z)-piperidin-2-ylidenemethyl]pyridine
CID 19922854
2-aminoacetic acid;cyclohexanamine;pyridine-2-carbaldehyde
CID 23291847
5-(pyridin-2-ylmethylidene)-6H-cyclopenta[b]thiophen-4-one
CID 4873391

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine (CID 122530328) is cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine is N[C@H]1CCC(=Cc2ccccn2)C(=Cc2ccccn2)[C@@H]1N.
What is the InChIKey of cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine?
The InChIKey is PBHXXKYMDXPPHR-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20N4/c19-17-8-7-13(11-14-5-1-3-9-21-14)16(18(17)20)12-15-6-2-4-10-22-15/h1-6,9-12,17-18H,7-8,19-20H2/t17-,18-/m0/s1.
What are the key properties of cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine?
cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine has a molecular weight of 292.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine is sourced from PubChem (CID 122530328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).