1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine

C12H22N4O — CID 106552448

IUPAC1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
SMILESCOCCCn1cc(C)nc1N1CCC(N)C1
InChIInChI=1S/C12H22N4O/c1-10-8-15(5-3-7-17-2)12(14-10)16-6-4-11(13)9-16/h8,11H,3-7,9,13H2,1-2H3
InChIKeyACNFLTKYVBTMPJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds5

About 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine

1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine (PubChem CID 106552448) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
PubChem CID106552448
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
SMILESCOCCCn1cc(C)nc1N1CCC(N)C1
InChIInChI=1S/C12H22N4O/c1-10-8-15(5-3-7-17-2)12(14-10)16-6-4-11(13)9-16/h8,11H,3-7,9,13H2,1-2H3
InChIKeyACNFLTKYVBTMPJ-UHFFFAOYSA-N
XLogP0.77
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
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-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552827
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710
[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
CID 106552257
1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
CID 106553671
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
1-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-4-methylpyrrolidin-3-amine
CID 106554015
4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine (CID 106552448) is 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine is COCCCn1cc(C)nc1N1CCC(N)C1.
What is the InChIKey of 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine?
The InChIKey is ACNFLTKYVBTMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-8-15(5-3-7-17-2)12(14-10)16-6-4-11(13)9-16/h8,11H,3-7,9,13H2,1-2H3.
What are the key properties of 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine?
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 106552448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).