N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine

C12H21N3O2 — CID 106560082

IUPACN-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CC1CCCO1
InChIInChI=1S/C12H21N3O2/c1-10(9-16-2)14-12-13-5-6-15(12)8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyZYLNAEIFIPVNPM-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.51
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106560082) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
PubChem CID106560082
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CC1CCCO1
InChIInChI=1S/C12H21N3O2/c1-10(9-16-2)14-12-13-5-6-15(12)8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyZYLNAEIFIPVNPM-UHFFFAOYSA-N
XLogP1.51
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
N-cyclopropyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560113
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-butyl-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560081
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563876
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(3-methoxypropyl)-1-[2-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106567498
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582356
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine (CID 106560082) is N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine is COCC(C)Nc1nccn1CC1CCCO1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is ZYLNAEIFIPVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(9-16-2)14-12-13-5-6-15(12)8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106560082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).