N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine

C18H32N2 — CID 63469719

IUPACN'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)C(C)CC)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-7-16(6)20(9-3)13-18(19-8-2)17-11-10-14(4)12-15(17)5/h10-12,16,18-19H,7-9,13H2,1-6H3
InChIKeyLFFWKZKDLGQIQJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.07
Rot. Bonds8

About N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine

N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine (PubChem CID 63469719) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
PubChem CID63469719
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)C(C)CC)c1ccc(C)cc1C
InChIInChI=1S/C18H32N2/c1-7-16(6)20(9-3)13-18(19-8-2)17-11-10-14(4)12-15(17)5/h10-12,16,18-19H,7-9,13H2,1-6H3
InChIKeyLFFWKZKDLGQIQJ-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
2-butan-2-ylsulfonyl-1-(2,4-dimethylphenyl)-N-ethylethanamine
CID 64644890
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
1-(2,4-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447398
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine (CID 63469719) is N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine is CCNC(CN(CC)C(C)CC)c1ccc(C)cc1C.
What is the InChIKey of N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is LFFWKZKDLGQIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-16(6)20(9-3)13-18(19-8-2)17-11-10-14(4)12-15(17)5/h10-12,16,18-19H,7-9,13H2,1-6H3.
What are the key properties of N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine?
N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-(2,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 63469719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).