N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine

C15H26N2 — CID 43268550

IUPACN-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-4-11-17(6-3)15(12-16)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11-12,16H2,1-3H3
InChIKeyMGPZXBQJCSPYJF-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine

N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine (PubChem CID 43268550) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
PubChem CID43268550
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-4-11-17(6-3)15(12-16)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11-12,16H2,1-3H3
InChIKeyMGPZXBQJCSPYJF-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642716
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
N-ethyl-1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450895
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
2-[[2-amino-1-(4-ethylphenyl)ethyl]-methylamino]ethanol
CID 112500855
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-(4-propan-2-yloxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 16642868
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427466
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine (CID 43268550) is N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine is CCCN(CC)C(CN)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine?
The InChIKey is MGPZXBQJCSPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-11-17(6-3)15(12-16)14-9-7-13(5-2)8-10-14/h7-10,15H,4-6,11-12,16H2,1-3H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine?
N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 43268550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).