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

C14H26N4O — CID 82734575

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)18-9-16-8-14(18)13(7-15)17(4)12-5-6-19-11(12)3/h8-13H,5-7,15H2,1-4H3
InChIKeyMLJRIRAAWPJODM-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.57
Rot. Bonds5

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

N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 82734575) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID82734575
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)C(CN)c1cncn1C(C)C
InChIInChI=1S/C14H26N4O/c1-10(2)18-9-16-8-14(18)13(7-15)17(4)12-5-6-19-11(12)3/h8-13H,5-7,15H2,1-4H3
InChIKeyMLJRIRAAWPJODM-UHFFFAOYSA-N
XLogP1.57
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 82734575) is N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC1OCCC1N(C)C(CN)c1cncn1C(C)C.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is MLJRIRAAWPJODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)18-9-16-8-14(18)13(7-15)17(4)12-5-6-19-11(12)3/h8-13H,5-7,15H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 82734575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).