N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine

C17H30N2 — CID 79477638

IUPACN'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-6-14(3)12-19(7-2)13-17(18-5)16-10-8-15(4)9-11-16/h8-11,14,17-18H,6-7,12-13H2,1-5H3
InChIKeyUHAZYAHPACRZLL-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.62
Rot. Bonds8

About N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine

N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 79477638) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID79477638
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C17H30N2/c1-6-14(3)12-19(7-2)13-17(18-5)16-10-8-15(4)9-11-16/h8-11,14,17-18H,6-7,12-13H2,1-5H3
InChIKeyUHAZYAHPACRZLL-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 63469942
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
CID 63469586
2-[ethyl(2-methylbutyl)amino]-1-(4-methylphenyl)ethanone
CID 79477665
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-(4-bromophenyl)-N,N'-diethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 79481550
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine (CID 79477638) is N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine is CCC(C)CN(CC)CC(NC)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is UHAZYAHPACRZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(3)12-19(7-2)13-17(18-5)16-10-8-15(4)9-11-16/h8-11,14,17-18H,6-7,12-13H2,1-5H3.
What are the key properties of N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79477638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).