N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine

C14H25N3O2 — CID 106560091

IUPACN-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-18-8-5-7-15-14-16-12(2)10-17(14)11-13-6-4-9-19-13/h10,13H,3-9,11H2,1-2H3,(H,15,16)
InChIKeyAEEALFBBBZOAKR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds8

About N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine

N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106560091) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
PubChem CID106560091
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-18-8-5-7-15-14-16-12(2)10-17(14)11-13-6-4-9-19-13/h10,13H,3-9,11H2,1-2H3,(H,15,16)
InChIKeyAEEALFBBBZOAKR-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
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

N-(3-methoxypropyl)-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563918
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
1-ethyl-4-methyl-N-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567508
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-(3-ethoxypropyl)-4-methyl-1-[(2-methyloxolan-2-yl)methyl]imidazol-2-amine
CID 106578093
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine (CID 106560091) is N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1CC1CCCO1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is AEEALFBBBZOAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-18-8-5-7-15-14-16-12(2)10-17(14)11-13-6-4-9-19-13/h10,13H,3-9,11H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(oxolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.21, 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-(oxolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106560091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).