N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride

C24H35ClN4 — CID 44532123

IUPACN'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride
SMILESCc1cccc(C/C(N)=N/CCCCCC/N=C(\N)Cc2cccc(C)c2)c1.Cl
InChIInChI=1S/C24H34N4.ClH/c1-19-9-7-11-21(15-19)17-23(25)27-13-5-3-4-6-14-28-24(26)18-22-12-8-10-20(2)16-22;/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H2,25,27)(H2,26,28);1H
InChIKeyHAMLMUFPMMDFDR-UHFFFAOYSA-N
MW415.03 g/mol
LogP4.79
Rot. Bonds11

About N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride

N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride (PubChem CID 44532123) has the molecular formula C24H35ClN4 and a molecular weight of 415.03 g/mol. Its IUPAC name is N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride
PubChem CID44532123
Molecular FormulaC24H35ClN4
Molecular Weight415.03 g/mol
Exact Mass414.26
IUPAC NameN'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride
SMILESCc1cccc(C/C(N)=N/CCCCCC/N=C(\N)Cc2cccc(C)c2)c1.Cl
InChIInChI=1S/C24H34N4.ClH/c1-19-9-7-11-21(15-19)17-23(25)27-13-5-3-4-6-14-28-24(26)18-22-12-8-10-20(2)16-22;/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H2,25,27)(H2,26,28);1H
InChIKeyHAMLMUFPMMDFDR-UHFFFAOYSA-N
XLogP4.79
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.03
LogP ≤ 54.79
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride (CID 44532123) is N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride is Cc1cccc(C/C(N)=N/CCCCCC/N=C(\N)Cc2cccc(C)c2)c1.Cl.
What is the InChIKey of N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride?
The InChIKey is HAMLMUFPMMDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4.ClH/c1-19-9-7-11-21(15-19)17-23(25)27-13-5-3-4-6-14-28-24(26)18-22-12-8-10-20(2)16-22;/h7-12,15-16H,3-6,13-14,17-18H2,1-2H3,(H2,25,27)(H2,26,28);1H.
What are the key properties of N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride?
N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride has a molecular weight of 415.03 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[[1-amino-2-(3-methylphenyl)ethylidene]amino]hexyl]-2-(3-methylphenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 44532123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).