1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine

C10H18N4 — CID 106553653

IUPAC1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCc1cnc(N2CCC(C(C)N)C2)[nH]1
InChIInChI=1S/C10H18N4/c1-7-5-12-10(13-7)14-4-3-9(6-14)8(2)11/h5,8-9H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyDKXVFAJAGQJDOP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.89
Rot. Bonds2

About 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine

1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 106553653) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine
PubChem CID106553653
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine
SMILESCc1cnc(N2CCC(C(C)N)C2)[nH]1
InChIInChI=1S/C10H18N4/c1-7-5-12-10(13-7)14-4-3-9(6-14)8(2)11/h5,8-9H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyDKXVFAJAGQJDOP-UHFFFAOYSA-N
XLogP0.89
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine (CID 106553653) is 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine is Cc1cnc(N2CCC(C(C)N)C2)[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is DKXVFAJAGQJDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-5-12-10(13-7)14-4-3-9(6-14)8(2)11/h5,8-9H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-imidazol-2-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 106553653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).