N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine

C46H80N2 — CID 140503123

IUPACN-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(N(C2CCC(C)CC2)C2CCC(/C=C/C3CCC(C4CCC(N(C5CCCCC5)C5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C46H80N2/c1-35-13-27-43(28-14-35)48(44-29-15-36(2)16-30-44)45-31-21-38(22-32-45)18-17-37-19-23-39(24-20-37)40-25-33-46(34-26-40)47(41-9-5-3-6-10-41)42-11-7-4-8-12-42/h17-18,35-46H,3-16,19-34H2,1-2H3/b18-17+
InChIKeyGUWNJAFRUQYOCW-ISLYRVAYSA-N
MW661.16 g/mol
LogP12.89
Rot. Bonds9

About N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine

N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 140503123) has the molecular formula C46H80N2 and a molecular weight of 661.16 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
PubChem CID140503123
Molecular FormulaC46H80N2
Molecular Weight661.16 g/mol
Exact Mass660.63
IUPAC NameN-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(N(C2CCC(C)CC2)C2CCC(/C=C/C3CCC(C4CCC(N(C5CCCCC5)C5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C46H80N2/c1-35-13-27-43(28-14-35)48(44-29-15-36(2)16-30-44)45-31-21-38(22-32-45)18-17-37-19-23-39(24-20-37)40-25-33-46(34-26-40)47(41-9-5-3-6-10-41)42-11-7-4-8-12-42/h17-18,35-46H,3-16,19-34H2,1-2H3/b18-17+
InChIKeyGUWNJAFRUQYOCW-ISLYRVAYSA-N
XLogP12.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.16
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine with MolForge

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Related Compounds

N,N-dicyclohexyl-4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexan-1-amine
CID 140503095
N-[4-[4-[(E)-2-[4-[cyclohexyl-(4-methoxycyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503086
6-[4-[(E)-2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl]-N,N-bis(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-amine
CID 140503090
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571106
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
N,N-dicyclohexylcyclohexanamine
CID 175770337
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
CID 134454006

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine (CID 140503123) is N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine is CC1CCC(N(C2CCC(C)CC2)C2CCC(/C=C/C3CCC(C4CCC(N(C5CCCCC5)C5CCCCC5)CC4)CC3)CC2)CC1.
What is the InChIKey of N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is GUWNJAFRUQYOCW-ISLYRVAYSA-N. The full InChI is InChI=1S/C46H80N2/c1-35-13-27-43(28-14-35)48(44-29-15-36(2)16-30-44)45-31-21-38(22-32-45)18-17-37-19-23-39(24-20-37)40-25-33-46(34-26-40)47(41-9-5-3-6-10-41)42-11-7-4-8-12-42/h17-18,35-46H,3-16,19-34H2,1-2H3/b18-17+.
What are the key properties of N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine?
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 661.16 g/mol, XLogP of 12.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 140503123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).