cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine

C20H22N2 — CID 141226760

IUPACcis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine
SMILESN[C@@H]1CCC(=Cc2ccccc2)C(=Cc2ccccc2)[C@H]1N
InChIInChI=1S/C20H22N2/c21-19-12-11-17(13-15-7-3-1-4-8-15)18(20(19)22)14-16-9-5-2-6-10-16/h1-10,13-14,19-20H,11-12,21-22H2/t19-,20-/m1/s1
InChIKeyZAIGKUDGOMAYTB-WOJBJXKFSA-N
MW290.41 g/mol
LogP3.60
Rot. Bonds2

About cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine

cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine (PubChem CID 141226760) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine
PubChem CID141226760
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Namecis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine
SMILESN[C@@H]1CCC(=Cc2ccccc2)C(=Cc2ccccc2)[C@H]1N
InChIInChI=1S/C20H22N2/c21-19-12-11-17(13-15-7-3-1-4-8-15)18(20(19)22)14-16-9-5-2-6-10-16/h1-10,13-14,19-20H,11-12,21-22H2/t19-,20-/m1/s1
InChIKeyZAIGKUDGOMAYTB-WOJBJXKFSA-N
XLogP3.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine (CID 141226760) is cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine is N[C@@H]1CCC(=Cc2ccccc2)C(=Cc2ccccc2)[C@H]1N.
What is the InChIKey of cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine?
The InChIKey is ZAIGKUDGOMAYTB-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22N2/c21-19-12-11-17(13-15-7-3-1-4-8-15)18(20(19)22)14-16-9-5-2-6-10-16/h1-10,13-14,19-20H,11-12,21-22H2/t19-,20-/m1/s1.
What are the key properties of cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine?
cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-3,4-dibenzylidenecyclohexane-1,2-diamine is sourced from PubChem (CID 141226760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).