2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine

C18H32N2 — CID 63495384

IUPAC2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-18(4,8-3)15-20(5)17-11-9-16(7-2)10-12-17/h9-12,19H,6-8,13-15H2,1-5H3
InChIKeyKWMLFOVSANHJAM-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.10
Rot. Bonds9

About 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine

2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 63495384) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID63495384
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CC)CN(C)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-18(4,8-3)15-20(5)17-11-9-16(7-2)10-12-17/h9-12,19H,6-8,13-15H2,1-5H3
InChIKeyKWMLFOVSANHJAM-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.10
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

2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
2-[(4-ethylphenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509171
N,2-dimethyl-N-phenyl-N',2-dipropylpropane-1,3-diamine
CID 63483398
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62258901
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
CID 62001526
2-ethyl-N-(4-methoxyphenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493334
N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine (CID 63495384) is 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CC)CN(C)c1ccc(CC)cc1.
What is the InChIKey of 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is KWMLFOVSANHJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-13-19-14-18(4,8-3)15-20(5)17-11-9-16(7-2)10-12-17/h9-12,19H,6-8,13-15H2,1-5H3.
What are the key properties of 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine?
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63495384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).