1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine

C24H32Cl2N4 — CID 142934352

IUPAC1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32Cl2N4/c1-29(24(27)28)14-18-2-4-19(5-3-18)15-30(16-20-6-10-22(25)11-7-20)17-21-8-12-23(26)13-9-21/h6-13,18-19H,2-5,14-17H2,1H3,(H3,27,28)
InChIKeyHREUHHYYBJNIPQ-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.63
Rot. Bonds8

About 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine

1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine (PubChem CID 142934352) has the molecular formula C24H32Cl2N4 and a molecular weight of 447.45 g/mol. Its IUPAC name is 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine
PubChem CID142934352
Molecular FormulaC24H32Cl2N4
Molecular Weight447.45 g/mol
Exact Mass446.20
IUPAC Name1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H32Cl2N4/c1-29(24(27)28)14-18-2-4-19(5-3-18)15-30(16-20-6-10-22(25)11-7-20)17-21-8-12-23(26)13-9-21/h6-13,18-19H,2-5,14-17H2,1H3,(H3,27,28)
InChIKeyHREUHHYYBJNIPQ-UHFFFAOYSA-N
XLogP5.63
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.63
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

2-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]guanidine
CID 10432992
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine
CID 24839284
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
[4-[[(4-chlorophenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 23795070
1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-3-cyano-2-methylguanidine
CID 142934636
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine;nitric acid
CID 24839283
[4-[[(4-chlorophenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934635
[4-[[(4-chloro-1-methylpyrazol-3-yl)methyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934351
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine?
The IUPAC name of 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine (CID 142934352) is 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine?
The canonical SMILES for 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine is [H]/N=C(\N)N(C)CC1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine?
The InChIKey is HREUHHYYBJNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4/c1-29(24(27)28)14-18-2-4-19(5-3-18)15-30(16-20-6-10-22(25)11-7-20)17-21-8-12-23(26)13-9-21/h6-13,18-19H,2-5,14-17H2,1H3,(H3,27,28).
What are the key properties of 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine?
1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine has a molecular weight of 447.45 g/mol, XLogP of 5.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[bis[(4-chlorophenyl)methyl]amino]methyl]cyclohexyl]methyl]-1-methylguanidine is sourced from PubChem (CID 142934352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).