trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine

C26H22F6N4 — CID 10625318

IUPACtrans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
SMILESFC(F)(F)c1ccc2c(N[C@H]3CCCC[C@@H]3Nc3ccnc4cc(C(F)(F)F)ccc34)ccnc2c1
InChIInChI=1S/C26H22F6N4/c27-25(28,29)15-5-7-17-19(9-11-33-23(17)13-15)35-21-3-1-2-4-22(21)36-20-10-12-34-24-14-16(26(30,31)32)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,33,35)(H,34,36)/t21-,22-/m0/s1
InChIKeyJQOWJUSHLIOOCI-VXKWHMMOSA-N
MW504.48 g/mol
LogP7.66
Rot. Bonds4

About trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine

trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine (PubChem CID 10625318) has the molecular formula C26H22F6N4 and a molecular weight of 504.48 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
PubChem CID10625318
Molecular FormulaC26H22F6N4
Molecular Weight504.48 g/mol
Exact Mass504.17
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
SMILESFC(F)(F)c1ccc2c(N[C@H]3CCCC[C@@H]3Nc3ccnc4cc(C(F)(F)F)ccc34)ccnc2c1
InChIInChI=1S/C26H22F6N4/c27-25(28,29)15-5-7-17-19(9-11-33-23(17)13-15)35-21-3-1-2-4-22(21)36-20-10-12-34-24-14-16(26(30,31)32)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,33,35)(H,34,36)/t21-,22-/m0/s1
InChIKeyJQOWJUSHLIOOCI-VXKWHMMOSA-N
XLogP7.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.48
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-adamantyl)-7-(trifluoromethyl)quinolin-4-amine
CID 175308756
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N-[1-(2-methoxyethyl)piperidin-4-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 133404980
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
1-(1-methylpyrazol-4-yl)-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]pyrrolidin-2-one
CID 133402039
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401455
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 70113412
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133402360
N-(2-chlorocyclohexyl)quinolin-4-amine
CID 65028987

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine (CID 10625318) is trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine is FC(F)(F)c1ccc2c(N[C@H]3CCCC[C@@H]3Nc3ccnc4cc(C(F)(F)F)ccc34)ccnc2c1.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine?
The InChIKey is JQOWJUSHLIOOCI-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H22F6N4/c27-25(28,29)15-5-7-17-19(9-11-33-23(17)13-15)35-21-3-1-2-4-22(21)36-20-10-12-34-24-14-16(26(30,31)32)6-8-18(20)24/h5-14,21-22H,1-4H2,(H,33,35)(H,34,36)/t21-,22-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine?
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine has a molecular weight of 504.48 g/mol, XLogP of 7.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 10625318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).