N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine

C16H28N2 — CID 62434751

IUPACN'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)c1ccc(CC)cc1
InChIInChI=1S/C16H28N2/c1-4-12-17-13-6-7-14-18(3)16-10-8-15(5-2)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyOYJSSUPSCJNGEM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.46
Rot. Bonds9

About N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine

N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine (PubChem CID 62434751) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
PubChem CID62434751
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
SMILESCCCNCCCCN(C)c1ccc(CC)cc1
InChIInChI=1S/C16H28N2/c1-4-12-17-13-6-7-14-18(3)16-10-8-15(5-2)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyOYJSSUPSCJNGEM-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-propylethane-1,2-diamine
CID 62003417
N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
ethyl 2-[4-ethyl-N-[4-(propylamino)butyl]anilino]acetate
CID 143415658
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060702
N,4-dibutyl-N-methylaniline
CID 118183375
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine?
The IUPAC name of N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine (CID 62434751) is N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine?
The canonical SMILES for N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine is CCCNCCCCN(C)c1ccc(CC)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine?
The InChIKey is OYJSSUPSCJNGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-12-17-13-6-7-14-18(3)16-10-8-15(5-2)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3.
What are the key properties of N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine?
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-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'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine is sourced from PubChem (CID 62434751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).