1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine

C10H18N4 — CID 115019985

IUPAC1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCN2C)[nH]1
InChIInChI=1S/C10H18N4/c1-7(11)10-12-6-8(13-10)9-4-3-5-14(9)2/h6-7,9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyKNPAHWMWJCVDIX-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.20
Rot. Bonds2

About 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine

1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine (PubChem CID 115019985) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
PubChem CID115019985
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine
SMILESCC(N)c1ncc(C2CCCN2C)[nH]1
InChIInChI=1S/C10H18N4/c1-7(11)10-12-6-8(13-10)9-4-3-5-14(9)2/h6-7,9H,3-5,11H2,1-2H3,(H,12,13)
InChIKeyKNPAHWMWJCVDIX-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine (CID 115019985) is 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine is CC(N)c1ncc(C2CCCN2C)[nH]1.
What is the InChIKey of 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is KNPAHWMWJCVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(11)10-12-6-8(13-10)9-4-3-5-14(9)2/h6-7,9H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine?
1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylpyrrolidin-2-yl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 115019985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).