2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine

C18H32N2 — CID 63465127

IUPAC2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(C)C(NCC)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-6-9-14-20(5)15(4)18(19-8-3)17-12-10-16(7-2)11-13-17/h10-13,15,18-19H,6-9,14H2,1-5H3
InChIKeyDWJBBJVQFZRKHD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds9

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

2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine (PubChem CID 63465127) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
PubChem CID63465127
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(C)C(NCC)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2/c1-6-9-14-20(5)15(4)18(19-8-3)17-12-10-16(7-2)11-13-17/h10-13,15,18-19H,6-9,14H2,1-5H3
InChIKeyDWJBBJVQFZRKHD-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 63465492
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
CID 143844338
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 63467800

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine (CID 63465127) is 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine is CCCCN(C)C(C)C(NCC)c1ccc(CC)cc1.
What is the InChIKey of 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is DWJBBJVQFZRKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-9-14-20(5)15(4)18(19-8-3)17-12-10-16(7-2)11-13-17/h10-13,15,18-19H,6-9,14H2,1-5H3.
What are the key properties of 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine?
2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63465127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).