N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine

C18H32N2 — CID 43309958

IUPACN',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
SMILESCCc1ccc(C(CC)NCCCN(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-5-16-10-12-17(13-11-16)18(6-2)19-14-9-15-20(7-3)8-4/h10-13,18-19H,5-9,14-15H2,1-4H3
InChIKeyMZIHCFIOAGYPPH-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds10

About N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine

N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine (PubChem CID 43309958) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
PubChem CID43309958
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
SMILESCCc1ccc(C(CC)NCCCN(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-5-16-10-12-17(13-11-16)18(6-2)19-14-9-15-20(7-3)8-4/h10-13,18-19H,5-9,14-15H2,1-4H3
InChIKeyMZIHCFIOAGYPPH-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
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

N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155
N-[1-(4-chlorophenyl)butyl]-N',N'-diethylpropane-1,3-diamine
CID 43102215
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
1-(4-ethylphenyl)-N-(2-phenoxyethyl)propan-1-amine
CID 63453795
N-[1-(4-ethylphenyl)propyl]-3-methylsulfinylbutan-1-amine
CID 115894514
N-[1-(4-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040410
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine (CID 43309958) is N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine is CCc1ccc(C(CC)NCCCN(CC)CC)cc1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine?
The InChIKey is MZIHCFIOAGYPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-16-10-12-17(13-11-16)18(6-2)19-14-9-15-20(7-3)8-4/h10-13,18-19H,5-9,14-15H2,1-4H3.
What are the key properties of N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 43309958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).