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

C14H28N4O — CID 82948271

IUPACN-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)17(6-7-19-5)13(8-15)14-9-16-10-18(14)12(3)4/h9-13H,6-8,15H2,1-5H3
InChIKeySHZNEYOLCSIVHJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds8

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

N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 82948271) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID82948271
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(C(C)C)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H28N4O/c1-11(2)17(6-7-19-5)13(8-15)14-9-16-10-18(14)12(3)4/h9-13H,6-8,15H2,1-5H3
InChIKeySHZNEYOLCSIVHJ-UHFFFAOYSA-N
XLogP1.82
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 82948271) is N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is COCCN(C(C)C)C(CN)c1cncn1C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is SHZNEYOLCSIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)17(6-7-19-5)13(8-15)14-9-16-10-18(14)12(3)4/h9-13H,6-8,15H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82948271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).