N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C14H28N4O2 — CID 82965069

IUPACN,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CN)c1cncn1C
InChIInChI=1S/C14H28N4O2/c1-4-19-8-6-18(7-9-20-5-2)13(10-15)14-11-16-12-17(14)3/h11-13H,4-10,15H2,1-3H3
InChIKeyANHDYIMCDPUPPN-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.79
Rot. Bonds11

About N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 82965069) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID82965069
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CN)c1cncn1C
InChIInChI=1S/C14H28N4O2/c1-4-19-8-6-18(7-9-20-5-2)13(10-15)14-11-16-12-17(14)3/h11-13H,4-10,15H2,1-3H3
InChIKeyANHDYIMCDPUPPN-UHFFFAOYSA-N
XLogP0.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
2-ethoxy-2-(3-methylimidazol-4-yl)ethanamine
CID 66117996
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
1-(3,5-difluorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 106528666
N-(1-ethylpiperidin-4-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66117307
N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118371

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 82965069) is N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CCOCCN(CCOCC)C(CN)c1cncn1C.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is ANHDYIMCDPUPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-19-8-6-18(7-9-20-5-2)13(10-15)14-11-16-12-17(14)3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 0.79, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82965069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).