2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine

C12H22N4 — CID 114721367

IUPAC2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
SMILESCC(Cn1cncc1CCN)N1CCCC1
InChIInChI=1S/C12H22N4/c1-11(15-6-2-3-7-15)9-16-10-14-8-12(16)4-5-13/h8,10-11H,2-7,9,13H2,1H3
InChIKeyMVIFMRDYUUVQOQ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine

2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine (PubChem CID 114721367) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
PubChem CID114721367
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
SMILESCC(Cn1cncc1CCN)N1CCCC1
InChIInChI=1S/C12H22N4/c1-11(15-6-2-3-7-15)9-16-10-14-8-12(16)4-5-13/h8,10-11H,2-7,9,13H2,1H3
InChIKeyMVIFMRDYUUVQOQ-UHFFFAOYSA-N
XLogP0.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114718520
1-[1-[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980209
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114708201
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 114721672
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980226

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine (CID 114721367) is 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine is CC(Cn1cncc1CCN)N1CCCC1.
What is the InChIKey of 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is MVIFMRDYUUVQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-11(15-6-2-3-7-15)9-16-10-14-8-12(16)4-5-13/h8,10-11H,2-7,9,13H2,1H3.
What are the key properties of 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine?
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114721367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).