1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C14H28N4O — CID 66135325

IUPAC1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CCOC)CC(C)C
InChIInChI=1S/C14H28N4O/c1-5-17-11-16-9-14(17)13(8-15)18(6-7-19-4)10-12(2)3/h9,11-13H,5-8,10,15H2,1-4H3
InChIKeyJGXWEPYPKFXCMM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds9

About 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine

1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 66135325) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID66135325
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CCOC)CC(C)C
InChIInChI=1S/C14H28N4O/c1-5-17-11-16-9-14(17)13(8-15)18(6-7-19-4)10-12(2)3/h9,11-13H,5-8,10,15H2,1-4H3
InChIKeyJGXWEPYPKFXCMM-UHFFFAOYSA-N
XLogP1.51
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Isopropyl-1H-imidazol-4-yl)ethanamine
CID 585835
2-(1-Isopropyl-1H-imidazol-5-yl)ethanamine
CID 18722276
2-[1-Methyl-2-(propan-2-yl)-1H-imidazol-4-yl]ethan-1-amine
CID 44292160
N-isobutyl-N'-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}urea
CID 91923946
2-(1-methyl-1H-imidazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 84739674
1-(2-Methoxyethyl)-5-methyl-2-(pyrrolidin-3-YL)-1H-imidazole
CID 86820584
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123822
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447
(2S)-N-[(1-ethylimidazol-4-yl)methyl]-3-methoxybutan-2-amine
CID 138020874
4-[1-[Bis(2-methoxyethyl)amino]ethyl]-2-ethylimidazole-1-sulfinyl fluoride
CID 54505841

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 66135325) is 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is CCn1cncc1C(CN)N(CCOC)CC(C)C.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JGXWEPYPKFXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-17-11-16-9-14(17)13(8-15)18(6-7-19-4)10-12(2)3/h9,11-13H,5-8,10,15H2,1-4H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 66135325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).