butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

C32H65F3N4 — CID 164558133

About butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (PubChem CID 164558133) has the molecular formula C32H65F3N4 and a molecular weight of 562.89 g/mol. Its IUPAC name is butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
• PubChem CID: 164558133
• Molecular Formula: C32H65F3N4
• Molecular Weight: 562.89 g/mol
• Exact Mass: 562.52
• IUPAC Name: butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
• SMILES: C=C(C)NC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1.CC.CC.CC.CC.CCC.CCCC
• InChI: InChI=1S/C17H23F3N4.C4H10.C3H8.4C2H6/c1-11(2)21-12-6-8-13(9-7-12)22-15-4-3-5-16-23-14(10-24(15)16)17(18,19)20;1-3-4-2;1-3-2;4*1-2/h3,5,10,12-13,15,21-22H,1,4,6-9H2,2H3;3-4H2,1-2H3;3H2,1-2H3;4*1-2H3
• InChIKey: WULKFQZHBQHOCL-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 41.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.89
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?

The IUPAC name of butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (CID 164558133) is butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

What is the SMILES notation for butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?

The canonical SMILES for butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is C=C(C)NC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1.CC.CC.CC.CC.CCC.CCCC.

What is the InChIKey of butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?

The InChIKey is WULKFQZHBQHOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4.C4H10.C3H8.4C2H6/c1-11(2)21-12-6-8-13(9-7-12)22-15-4-3-5-16-23-14(10-24(15)16)17(18,19)20;1-3-4-2;1-3-2;4*1-2/h3,5,10,12-13,15,21-22H,1,4,6-9H2,2H3;3-4H2,1-2H3;3H2,1-2H3;4*1-2H3.

What are the key properties of butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?

butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 562.89 g/mol, XLogP of 11.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for butane;ethane;propane;4-N-prop-1-en-2-yl-1-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).