(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

C16H30N4O — CID 72912402

IUPAC(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(Cc2nccn2CCOC)C[C@@H]1N(C)C
InChIInChI=1S/C16H30N4O/c1-5-6-14-11-19(12-15(14)18(2)3)13-16-17-7-8-20(16)9-10-21-4/h7-8,14-15H,5-6,9-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyRZXAGIYHSRQSBT-GJZGRUSLSA-N
MW294.44 g/mol
LogP1.69
Rot. Bonds8

About (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine

(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (PubChem CID 72912402) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
PubChem CID72912402
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(Cc2nccn2CCOC)C[C@@H]1N(C)C
InChIInChI=1S/C16H30N4O/c1-5-6-14-11-19(12-15(14)18(2)3)13-16-17-7-8-20(16)9-10-21-4/h7-8,14-15H,5-6,9-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyRZXAGIYHSRQSBT-GJZGRUSLSA-N
XLogP1.69
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 70763278
(3S,4R)-N,N-dimethyl-4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 70755438
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 77092818
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
(3S,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 133119202
5-[[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 70765593

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine (CID 72912402) is (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(Cc2nccn2CCOC)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
The InChIKey is RZXAGIYHSRQSBT-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-6-14-11-19(12-15(14)18(2)3)13-16-17-7-8-20(16)9-10-21-4/h7-8,14-15H,5-6,9-13H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine?
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine has a molecular weight of 294.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 72912402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).