1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

C13H21N3O2 — CID 106581506

IUPAC1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCOC1(CNc2nc(C)cn2C2CC2)CCOC1
InChIInChI=1S/C13H21N3O2/c1-10-7-16(11-3-4-11)12(15-10)14-8-13(17-2)5-6-18-9-13/h7,11H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyHTMHVXKAOYXPDM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine

1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (PubChem CID 106581506) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
PubChem CID106581506
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
SMILESCOC1(CNc2nc(C)cn2C2CC2)CCOC1
InChIInChI=1S/C13H21N3O2/c1-10-7-16(11-3-4-11)12(15-10)14-8-13(17-2)5-6-18-9-13/h7,11H,3-6,8-9H2,1-2H3,(H,14,15)
InChIKeyHTMHVXKAOYXPDM-UHFFFAOYSA-N
XLogP1.74
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581481
1-[(3-methoxyoxolan-3-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106581479
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562626
2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 104767445
1-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine
CID 106581524
2-[(3-methoxyoxolan-3-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 104705673
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
N-ethyl-4-methyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577274
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 104762268
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carbothioamide
CID 114767963

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine (CID 106581506) is 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is COC1(CNc2nc(C)cn2C2CC2)CCOC1.
What is the InChIKey of 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
The InChIKey is HTMHVXKAOYXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-16(11-3-4-11)12(15-10)14-8-13(17-2)5-6-18-9-13/h7,11H,3-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine?
1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106581506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).