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

C18H32N2 — CID 63469942

IUPACN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C18H32N2/c1-6-16(7-2)13-20(8-3)14-18(19-5)17-11-9-15(4)10-12-17/h9-12,16,18-19H,6-8,13-14H2,1-5H3
InChIKeyRTJFGTSMJXGJBD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.01
Rot. Bonds9

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

N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63469942) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63469942
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C18H32N2/c1-6-16(7-2)13-20(8-3)14-18(19-5)17-11-9-15(4)10-12-17/h9-12,16,18-19H,6-8,13-14H2,1-5H3
InChIKeyRTJFGTSMJXGJBD-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 79477638
1-(2,5-dimethylphenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylethane-1,2-diamine
CID 63469586
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
N',N'-dibutyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63482896
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N',N'-bis(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618960
1-(3-chlorophenyl)-N'-ethyl-N'-(2-ethylbutyl)-N-methylpropane-1,3-diamine
CID 63494994

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 63469942) is N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is CCC(CC)CN(CC)CC(NC)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is RTJFGTSMJXGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-16(7-2)13-20(8-3)14-18(19-5)17-11-9-15(4)10-12-17/h9-12,16,18-19H,6-8,13-14H2,1-5H3.
What are the key properties of N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63469942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).