2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride

C18H26Cl2N4 — CID 90665177

IUPAC2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N4.2ClH/c19-18(20)22-13-5-4-12-21-14-15-8-10-17(11-9-15)16-6-2-1-3-7-16;;/h1-3,6-11,21H,4-5,12-14H2,(H4,19,20,22);2*1H
InChIKeyYZBUPNASGUAQAU-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.34
Rot. Bonds8

About 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride

2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride (PubChem CID 90665177) has the molecular formula C18H26Cl2N4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride
PubChem CID90665177
Molecular FormulaC18H26Cl2N4
Molecular Weight369.34 g/mol
Exact Mass368.15
IUPAC Name2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride
SMILESCl.Cl.NC(N)=NCCCCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N4.2ClH/c19-18(20)22-13-5-4-12-21-14-15-8-10-17(11-9-15)16-6-2-1-3-7-16;;/h1-3,6-11,21H,4-5,12-14H2,(H4,19,20,22);2*1H
InChIKeyYZBUPNASGUAQAU-UHFFFAOYSA-N
XLogP3.34
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
2-[3-[[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]methylamino]propyl]guanidine
CID 66581808
1-N'-benzyl-1-N-[4-(diaminomethylideneamino)butyl]cyclobutane-1,1-dicarboxamide
CID 70271375
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
2-[3-[[4-(6-methyl-4-oxo-1H-pyridin-3-yl)phenyl]methylamino]propyl]guanidine
CID 118857796
N-[(4-phenylphenyl)methyl]pent-4-yn-1-amine
CID 103701650
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
2-[3-[(2R,5R)-5-[3-(diaminomethylideneamino)propyl]-3,6-dioxo-1,4-bis[(4-phenylphenyl)methyl]piperazin-2-yl]propyl]guanidine;dihydrochloride
CID 166632331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride?
The IUPAC name of 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride (CID 90665177) is 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride is Cl.Cl.NC(N)=NCCCCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride?
The InChIKey is YZBUPNASGUAQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.2ClH/c19-18(20)22-13-5-4-12-21-14-15-8-10-17(11-9-15)16-6-2-1-3-7-16;;/h1-3,6-11,21H,4-5,12-14H2,(H4,19,20,22);2*1H.
What are the key properties of 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride?
2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methylamino]butyl]guanidine;dihydrochloride is sourced from PubChem (CID 90665177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).