N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine

C19H26N2 — CID 103603219

IUPACN-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-21(2)15-9-14-20-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3
InChIKeyKVJCWWDDJXPSTE-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.36
Rot. Bonds8

About N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine

N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 103603219) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID103603219
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2/c1-21(2)15-9-14-20-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3
InChIKeyKVJCWWDDJXPSTE-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480
N-butyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23394686
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
sodium 3-(2,2-diphenylethylamino)propane-1-sulfonate
CID 23676813
N'-(2,2-diphenylethyl)-N-(3-ethoxypropyl)ethane-1,2-diamine
CID 10381752
N-[2-(3-fluoro-4-phenylphenyl)propyl]-N',N'-dimethylpropane-1,3-diamine
CID 19879377
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
2-[3-(dimethylamino)propylamino]-1-thiophen-3-ylethanol
CID 106435161
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine (CID 103603219) is N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KVJCWWDDJXPSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-21(2)15-9-14-20-16-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-16H2,1-2H3.
What are the key properties of N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 103603219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).