N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine

C16H28N2 — CID 62434760

IUPACN-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
SMILESCCNCCCCCN(C)c1ccc(CC)cc1
InChIInChI=1S/C16H28N2/c1-4-15-9-11-16(12-10-15)18(3)14-8-6-7-13-17-5-2/h9-12,17H,4-8,13-14H2,1-3H3
InChIKeyGPISMIBSZYPDBM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.46
Rot. Bonds9

About N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine

N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine (PubChem CID 62434760) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
PubChem CID62434760
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
SMILESCCNCCCCCN(C)c1ccc(CC)cc1
InChIInChI=1S/C16H28N2/c1-4-15-9-11-16(12-10-15)18(3)14-8-6-7-13-17-5-2/h9-12,17H,4-8,13-14H2,1-3H3
InChIKeyGPISMIBSZYPDBM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 62437244
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
N'-(4-bromophenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115205674
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N'-(4-ethenylphenyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 145320752

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine (CID 62434760) is N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine is CCNCCCCCN(C)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine?
The InChIKey is GPISMIBSZYPDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-15-9-11-16(12-10-15)18(3)14-8-6-7-13-17-5-2/h9-12,17H,4-8,13-14H2,1-3H3.
What are the key properties of N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine?
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 62434760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).