N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine

C35H48N2 — CID 54414344

IUPACN-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine
SMILESCN(CCC=Cc1ccc2c(c1)Cc1cc(C=CCCN(C)C3CCCCC3)ccc1-2)C1CCCCC1
InChIInChI=1S/C35H48N2/c1-36(32-15-5-3-6-16-32)23-11-9-13-28-19-21-34-30(25-28)27-31-26-29(20-22-35(31)34)14-10-12-24-37(2)33-17-7-4-8-18-33/h9-10,13-14,19-22,25-26,32-33H,3-8,11-12,15-18,23-24,27H2,1-2H3
InChIKeyVWINAAVJPHZLJM-UHFFFAOYSA-N
MW496.78 g/mol
LogP8.59
Rot. Bonds10

About N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine

N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine (PubChem CID 54414344) has the molecular formula C35H48N2 and a molecular weight of 496.78 g/mol. Its IUPAC name is N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine
PubChem CID54414344
Molecular FormulaC35H48N2
Molecular Weight496.78 g/mol
Exact Mass496.38
IUPAC NameN-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine
SMILESCN(CCC=Cc1ccc2c(c1)Cc1cc(C=CCCN(C)C3CCCCC3)ccc1-2)C1CCCCC1
InChIInChI=1S/C35H48N2/c1-36(32-15-5-3-6-16-32)23-11-9-13-28-19-21-34-30(25-28)27-31-26-29(20-22-35(31)34)14-10-12-24-37(2)33-17-7-4-8-18-33/h9-10,13-14,19-22,25-26,32-33H,3-8,11-12,15-18,23-24,27H2,1-2H3
InChIKeyVWINAAVJPHZLJM-UHFFFAOYSA-N
XLogP8.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.78
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine?
The IUPAC name of N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine (CID 54414344) is N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine is CN(CCC=Cc1ccc2c(c1)Cc1cc(C=CCCN(C)C3CCCCC3)ccc1-2)C1CCCCC1.
What is the InChIKey of N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine?
The InChIKey is VWINAAVJPHZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2/c1-36(32-15-5-3-6-16-32)23-11-9-13-28-19-21-34-30(25-28)27-31-26-29(20-22-35(31)34)14-10-12-24-37(2)33-17-7-4-8-18-33/h9-10,13-14,19-22,25-26,32-33H,3-8,11-12,15-18,23-24,27H2,1-2H3.
What are the key properties of N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine?
N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine has a molecular weight of 496.78 g/mol, XLogP of 8.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[4-[cyclohexyl(methyl)amino]but-1-enyl]-9H-fluoren-2-yl]but-3-enyl]-N-methylcyclohexanamine is sourced from PubChem (CID 54414344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).