N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C18H31N3 — CID 63206960

IUPACN-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H31N3/c1-4-19-18(17-9-7-16(2)8-10-17)15-20(3)13-14-21-11-5-6-12-21/h7-10,18-19H,4-6,11-15H2,1-3H3
InChIKeyCUHQWQYVDYYHNQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.67
Rot. Bonds8

About N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63206960) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63206960
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H31N3/c1-4-19-18(17-9-7-16(2)8-10-17)15-20(3)13-14-21-11-5-6-12-21/h7-10,18-19H,4-6,11-15H2,1-3H3
InChIKeyCUHQWQYVDYYHNQ-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
CID 63210893
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 104746206
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 19439989
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
CID 63466191
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63206960) is N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CCNC(CN(C)CCN1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is CUHQWQYVDYYHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-19-18(17-9-7-16(2)8-10-17)15-20(3)13-14-21-11-5-6-12-21/h7-10,18-19H,4-6,11-15H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63206960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).