trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine

C24H24N4 — CID 11257167

IUPACtrans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
SMILESc1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C24H24N4/c1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24/h1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1
InChIKeyLBZHXHCNQBOGSV-FGZHOGPDSA-N
MW368.48 g/mol
LogP5.62
Rot. Bonds4

About trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine (PubChem CID 11257167) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
PubChem CID11257167
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Nametrans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine
SMILESc1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C24H24N4/c1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24/h1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1
InChIKeyLBZHXHCNQBOGSV-FGZHOGPDSA-N
XLogP5.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine (CID 11257167) is trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine is c1ccc2nc(N[C@@H]3CCCC[C@H]3Nc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is LBZHXHCNQBOGSV-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H24N4/c1-3-9-19-17(7-1)13-15-23(25-19)27-21-11-5-6-12-22(21)28-24-16-14-18-8-2-4-10-20(18)26-24/h1-4,7-10,13-16,21-22H,5-6,11-12H2,(H,25,27)(H,26,28)/t21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 368.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-di(quinolin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 11257167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).