1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

C18H32N2 — CID 79092551

IUPAC1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cc(C)cc(C)c1
InChIInChI=1S/C18H32N2/c1-6-10-19-18(9-11-20(7-2)8-3)17-13-15(4)12-16(5)14-17/h12-14,18-19H,6-11H2,1-5H3
InChIKeyUBVDXHMGFMOTNR-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.08
Rot. Bonds9

About 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (PubChem CID 79092551) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
PubChem CID79092551
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cc(C)cc(C)c1
InChIInChI=1S/C18H32N2/c1-6-10-19-18(9-11-20(7-2)8-3)17-13-15(4)12-16(5)14-17/h12-14,18-19H,6-11H2,1-5H3
InChIKeyUBVDXHMGFMOTNR-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79093220
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (CID 79092551) is 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The InChIKey is UBVDXHMGFMOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-10-19-18(9-11-20(7-2)8-3)17-13-15(4)12-16(5)14-17/h12-14,18-19H,6-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79092551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).