N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine

C16H28N2 — CID 62573232

IUPACN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)(C)CC)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-6-16(4,5)17-12-13-18(7-2)15-11-9-8-10-14(15)3/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyOVAKUWLDWCOJKQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.60
Rot. Bonds7

About N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine

N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62573232) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
PubChem CID62573232
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNC(C)(C)CC)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-6-16(4,5)17-12-13-18(7-2)15-11-9-8-10-14(15)3/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyOVAKUWLDWCOJKQ-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N'-ethyl-N'-(2-methylphenyl)-N-pyrimidin-2-ylethane-1,2-diamine
CID 75415758
N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503202
4-(N-ethyl-2-methylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790380
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 62575841
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N-[2-(N-ethyl-2-methylanilino)ethyl]-4,4-dimethylpent-2-enamide
CID 72689859
N'-butyl-N-(2-methylbutan-2-yl)-N'-phenylethane-1,2-diamine
CID 64586415
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine (CID 62573232) is N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine is CCN(CCNC(C)(C)CC)c1ccccc1C.
What is the InChIKey of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is OVAKUWLDWCOJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-16(4,5)17-12-13-18(7-2)15-11-9-8-10-14(15)3/h8-11,17H,6-7,12-13H2,1-5H3.
What are the key properties of N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine?
N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylbutan-2-yl)-N'-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62573232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).