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

C10H20N4O — CID 66133270

IUPAC1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)NCCOC
InChIInChI=1S/C10H20N4O/c1-3-14-8-12-7-10(14)9(6-11)13-4-5-15-2/h7-9,13H,3-6,11H2,1-2H3
InChIKeyNSXXQDMYBKJNQD-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.14
Rot. Bonds7

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

1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 66133270) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID66133270
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCn1cncc1C(CN)NCCOC
InChIInChI=1S/C10H20N4O/c1-3-14-8-12-7-10(14)9(6-11)13-4-5-15-2/h7-9,13H,3-6,11H2,1-2H3
InChIKeyNSXXQDMYBKJNQD-UHFFFAOYSA-N
XLogP0.14
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylimidazol-4-yl)-4-methoxybutan-1-ol
CID 114852366
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
N-(2,2-difluoroethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 115406189
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66134912
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
1-(3-ethylimidazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106227949
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986819
N-cyclopropyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130610
5-amino-4-(3-ethylimidazol-4-yl)pentan-2-ol
CID 81422830

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 66133270) is 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is CCn1cncc1C(CN)NCCOC.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is NSXXQDMYBKJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-14-8-12-7-10(14)9(6-11)13-4-5-15-2/h7-9,13H,3-6,11H2,1-2H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 212.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 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)ethane-1,2-diamine is sourced from PubChem (CID 66133270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).