N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine

C18H32N2 — CID 63483080

IUPACN'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CCC)c1ccccc1C
InChIInChI=1S/C18H32N2/c1-5-13-19-18(12-15-20(7-3)14-6-2)17-11-9-8-10-16(17)4/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyQAALKYZKRXPVFJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.16
Rot. Bonds10

About N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine

N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine (PubChem CID 63483080) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
PubChem CID63483080
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CCC)c1ccccc1C
InChIInChI=1S/C18H32N2/c1-5-13-19-18(12-15-20(7-3)14-6-2)17-11-9-8-10-16(17)4/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyQAALKYZKRXPVFJ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
1-(2-methylphenyl)-N'-propan-2-yl-N,N'-dipropylethane-1,2-diamine
CID 63464856
N,N'-diethyl-N'-(2-methylbutyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 79480262
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62630254
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
1-(4-bromo-2-chlorophenyl)-N'-ethyl-N,N'-dipropylpropane-1,3-diamine
CID 82777421
3-methyl-1-(2-methylphenyl)-N-propylhexan-1-amine
CID 63413299
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092747

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine (CID 63483080) is N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine is CCCNC(CCN(CC)CCC)c1ccccc1C.
What is the InChIKey of N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is QAALKYZKRXPVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-13-19-18(12-15-20(7-3)14-6-2)17-11-9-8-10-16(17)4/h8-11,18-19H,5-7,12-15H2,1-4H3.
What are the key properties of N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine?
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63483080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).