2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine

C23H30Cl2N4 — CID 10432992

IUPAC2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
SMILESNC(N)=NCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30Cl2N4/c24-21-9-5-19(6-10-21)15-29(16-20-7-11-22(25)12-8-20)14-18-3-1-17(2-4-18)13-28-23(26)27/h5-12,17-18H,1-4,13-16H2,(H4,26,27,28)
InChIKeyWVCMNVZZNDRGIN-UHFFFAOYSA-N
MW433.43 g/mol
LogP5.08
Rot. Bonds8

About 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine

2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine (PubChem CID 10432992) has the molecular formula C23H30Cl2N4 and a molecular weight of 433.43 g/mol. Its IUPAC name is 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
PubChem CID10432992
Molecular FormulaC23H30Cl2N4
Molecular Weight433.43 g/mol
Exact Mass432.18
IUPAC Name2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
SMILESNC(N)=NCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H30Cl2N4/c24-21-9-5-19(6-10-21)15-29(16-20-7-11-22(25)12-8-20)14-18-3-1-17(2-4-18)13-28-23(26)27/h5-12,17-18H,1-4,13-16H2,(H4,26,27,28)
InChIKeyWVCMNVZZNDRGIN-UHFFFAOYSA-N
XLogP5.08
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine
CID 142934352
phenyl N'-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-N-cyanocarbamimidate
CID 142934505
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-3-cyano-2-methylguanidine
CID 142934636
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934351
2-[3-[[1,3-benzothiazol-2-ylmethyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]guanidine
CID 142934434
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
[4-[[benzyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934507
[4-[[2-aminoethyl(cyclopropylmethyl)amino]methyl]phenyl]methylphosphonic acid
CID 23848978
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine?
The IUPAC name of 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine (CID 10432992) is 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine.
What is the SMILES notation for 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine?
The canonical SMILES for 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine is NC(N)=NCC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine?
The InChIKey is WVCMNVZZNDRGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4/c24-21-9-5-19(6-10-21)15-29(16-20-7-11-22(25)12-8-20)14-18-3-1-17(2-4-18)13-28-23(26)27/h5-12,17-18H,1-4,13-16H2,(H4,26,27,28).
What are the key properties of 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine?
2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine has a molecular weight of 433.43 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine is sourced from PubChem (CID 10432992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).