N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine

C13H23N3O2 — CID 106582613

IUPACN-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)C1CCOC1
InChIInChI=1S/C13H23N3O2/c1-10(8-17-3)15-13-14-5-6-16(13)11(2)12-4-7-18-9-12/h5-6,10-12H,4,7-9H2,1-3H3,(H,14,15)
InChIKeySHWVETDBLQCTQN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.93
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine (PubChem CID 106582613) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
PubChem CID106582613
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)C1CCOC1
InChIInChI=1S/C13H23N3O2/c1-10(8-17-3)15-13-14-5-6-16(13)11(2)12-4-7-18-9-12/h5-6,10-12H,4,7-9H2,1-3H3,(H,14,15)
InChIKeySHWVETDBLQCTQN-UHFFFAOYSA-N
XLogP1.93
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
CID 106582648
N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567567
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine
CID 106580407
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574399
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106579865

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine (CID 106582613) is N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine is COCC(C)Nc1nccn1C(C)C1CCOC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine?
The InChIKey is SHWVETDBLQCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(8-17-3)15-13-14-5-6-16(13)11(2)12-4-7-18-9-12/h5-6,10-12H,4,7-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.93, 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-[1-(oxolan-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106582613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).