N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine

C17H30N2 — CID 62617865

IUPACN,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCC(NCC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-5-13-19(7-3)14-12-17(18-6-2)16-10-8-15(4)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3
InChIKeyXEDORIVFSCPYQH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.77
Rot. Bonds9

About N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine

N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine (PubChem CID 62617865) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
PubChem CID62617865
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC)CCC(NCC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-5-13-19(7-3)14-12-17(18-6-2)16-10-8-15(4)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3
InChIKeyXEDORIVFSCPYQH-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine (CID 62617865) is N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine is CCCN(CC)CCC(NCC)c1ccc(C)cc1.
What is the InChIKey of N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine?
The InChIKey is XEDORIVFSCPYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-13-19(7-3)14-12-17(18-6-2)16-10-8-15(4)9-11-16/h8-11,17-18H,5-7,12-14H2,1-4H3.
What are the key properties of N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine?
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62617865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).