N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride

C20H26Cl2N2 — CID 173235754

IUPACN,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESC=Cc1ccc(CNCCNCc2ccc(C=C)cc2)cc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-3-17-5-9-19(10-6-17)15-21-13-14-22-16-20-11-7-18(4-2)8-12-20;;/h3-12,21-22H,1-2,13-16H2;2*1H
InChIKeyPOSHRBMOTNCWKL-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.70
Rot. Bonds9

About N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride

N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 173235754) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID173235754
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC NameN,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
SMILESC=Cc1ccc(CNCCNCc2ccc(C=C)cc2)cc1.Cl.Cl
InChIInChI=1S/C20H24N2.2ClH/c1-3-17-5-9-19(10-6-17)15-21-13-14-22-16-20-11-7-18(4-2)8-12-20;;/h3-12,21-22H,1-2,13-16H2;2*1H
InChIKeyPOSHRBMOTNCWKL-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
CID 90317414
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
(4-ethenylphenyl)methylazanium
CID 86307073
N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene
CID 157330068
N-[(4-ethenylphenyl)methyl]-3-hydroxybut-3-enamide
CID 59550018

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride (CID 173235754) is N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride is C=Cc1ccc(CNCCNCc2ccc(C=C)cc2)cc1.Cl.Cl.
What is the InChIKey of N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is POSHRBMOTNCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2.2ClH/c1-3-17-5-9-19(10-6-17)15-21-13-14-22-16-20-11-7-18(4-2)8-12-20;;/h3-12,21-22H,1-2,13-16H2;2*1H.
What are the key properties of N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride?
N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 365.35 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 173235754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).