chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine

C19H34ClN6+ — CID 145155306

IUPACchloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1.CCl
InChIInChI=1S/C18H30N6.CH3Cl/c1-5-24(6-2)13-7-12-19-16-8-10-17(11-9-16)20-21-18-22(3)14-15-23(18)4;1-2/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3;1H3/p+1/b21-20+;
InChIKeyJMBSCWHVXQEQBM-ANVLNOONSA-O
MW381.98 g/mol
LogP2.98
Rot. Bonds9

About chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine

chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 145155306) has the molecular formula C19H34ClN6+ and a molecular weight of 381.98 g/mol. Its IUPAC name is chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Namechloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID145155306
Molecular FormulaC19H34ClN6+
Molecular Weight381.98 g/mol
Exact Mass381.25
IUPAC Namechloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1.CCl
InChIInChI=1S/C18H30N6.CH3Cl/c1-5-24(6-2)13-7-12-19-16-8-10-17(11-9-16)20-21-18-22(3)14-15-23(18)4;1-2/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3;1H3/p+1/b21-20+;
InChIKeyJMBSCWHVXQEQBM-ANVLNOONSA-O
XLogP2.98
TPSA47.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 3069993
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-[3-(diethylamino)propylamino]-2-fluorobenzonitrile
CID 113295496
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
2-chloro-4-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62949281
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
N-(2,4-dichlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 57223058
3-[3-(diethylamino)propylamino]phenol
CID 83813650
N'-[4-(diethylaminomethyl)phenyl]hexane-1,6-diamine
CID 83961023
N'-(cyclobutylmethyl)-N'-ethyl-N-phenylpropane-1,3-diamine
CID 107402188
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050

Frequently Asked Questions

What is the IUPAC name of chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine (CID 145155306) is chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ccc(/N=N/C2N(C)C=C[NH+]2C)cc1.CCl.
What is the InChIKey of chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is JMBSCWHVXQEQBM-ANVLNOONSA-O. The full InChI is InChI=1S/C18H30N6.CH3Cl/c1-5-24(6-2)13-7-12-19-16-8-10-17(11-9-16)20-21-18-22(3)14-15-23(18)4;1-2/h8-11,14-15,18-19H,5-7,12-13H2,1-4H3;1H3/p+1/b21-20+;.
What are the key properties of chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine?
chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 381.98 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N-[4-[(1,3-dimethyl-1,2-dihydroimidazol-1-ium-2-yl)diazenyl]phenyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 145155306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).