N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine

C48H75N3 — CID 171722657

IUPACN-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
SMILESC=C(c1cc(C(=C)N(C2CCCCC2)C2CCCCC2)cc(C(=C)N(C2CCCCC2)C2CCCCC2)c1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H75N3/c1-37(49(43-22-10-4-11-23-43)44-24-12-5-13-25-44)40-34-41(38(2)50(45-26-14-6-15-27-45)46-28-16-7-17-29-46)36-42(35-40)39(3)51(47-30-18-8-19-31-47)48-32-20-9-21-33-48/h34-36,43-48H,1-33H2
InChIKeyRPWKZEAYDBODIE-UHFFFAOYSA-N
MW694.15 g/mol
LogP13.50
Rot. Bonds12

About N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine

N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine (PubChem CID 171722657) has the molecular formula C48H75N3 and a molecular weight of 694.15 g/mol. Its IUPAC name is N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
PubChem CID171722657
Molecular FormulaC48H75N3
Molecular Weight694.15 g/mol
Exact Mass693.60
IUPAC NameN-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
SMILESC=C(c1cc(C(=C)N(C2CCCCC2)C2CCCCC2)cc(C(=C)N(C2CCCCC2)C2CCCCC2)c1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C48H75N3/c1-37(49(43-22-10-4-11-23-43)44-24-12-5-13-25-44)40-34-41(38(2)50(45-26-14-6-15-27-45)46-28-16-7-17-29-46)36-42(35-40)39(3)51(47-30-18-8-19-31-47)48-32-20-9-21-33-48/h34-36,43-48H,1-33H2
InChIKeyRPWKZEAYDBODIE-UHFFFAOYSA-N
XLogP13.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.15
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine 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

1-N',1-N'-di(cyclobutyl)-1-N,1-N-dicyclohexylethene-1,1-diamine
CID 20530659
5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide
CID 54104460
1,1,3,3-tetracyclohexylselenourea
CID 134917279
1,1,3,3-tetracyclohexylthiourea
CID 12935848
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
1-N,3-N-dicyclohexyl-1-N,3-N-bis[2,2,6,6-tetramethyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]benzene-1,3-dicarboxamide
CID 19098678
bis(N,N-dicyclohexylcarbamodithioate);molybdenum;disulfide
CID 173360149
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
CID 143724449
3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
CID 11835262
cyclohexyl-(2-methylidenecyclohexyl)carbamodithioic acid
CID 151798740
CID 87476940
CID 87476940

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine?
The IUPAC name of N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine (CID 171722657) is N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine is C=C(c1cc(C(=C)N(C2CCCCC2)C2CCCCC2)cc(C(=C)N(C2CCCCC2)C2CCCCC2)c1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine?
The InChIKey is RPWKZEAYDBODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H75N3/c1-37(49(43-22-10-4-11-23-43)44-24-12-5-13-25-44)40-34-41(38(2)50(45-26-14-6-15-27-45)46-28-16-7-17-29-46)36-42(35-40)39(3)51(47-30-18-8-19-31-47)48-32-20-9-21-33-48/h34-36,43-48H,1-33H2.
What are the key properties of N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine?
N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine has a molecular weight of 694.15 g/mol, XLogP of 13.50, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 171722657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).