N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine

C15H27N3O2 — CID 106578093

IUPACN-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1(C)CCCO1
InChIInChI=1S/C15H27N3O2/c1-4-19-9-6-8-16-14-17-13(2)11-18(14)12-15(3)7-5-10-20-15/h11H,4-10,12H2,1-3H3,(H,16,17)
InChIKeyVOVHYYKOBAYDSE-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds8

About N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine

N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine (PubChem CID 106578093) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine
PubChem CID106578093
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1(C)CCCO1
InChIInChI=1S/C15H27N3O2/c1-4-19-9-6-8-16-14-17-13(2)11-18(14)12-15(3)7-5-10-20-15/h11H,4-10,12H2,1-3H3,(H,16,17)
InChIKeyVOVHYYKOBAYDSE-UHFFFAOYSA-N
XLogP2.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560091
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine (CID 106578093) is N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine is CCOCCCNc1nc(C)cn1CC1(C)CCCO1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine?
The InChIKey is VOVHYYKOBAYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-19-9-6-8-16-14-17-13(2)11-18(14)12-15(3)7-5-10-20-15/h11H,4-10,12H2,1-3H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).