(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine

C11H19N3 — CID 104943969

IUPAC(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
SMILESCC1CCC(n2cncc2[C@H](C)N)C1
InChIInChI=1S/C11H19N3/c1-8-3-4-10(5-8)14-7-13-6-11(14)9(2)12/h6-10H,3-5,12H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyBZWCIGHOQVCKGI-KYHHOPLUSA-N
MW193.29 g/mol
LogP2.26
Rot. Bonds2

About (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine

(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine (PubChem CID 104943969) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
PubChem CID104943969
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
SMILESCC1CCC(n2cncc2[C@H](C)N)C1
InChIInChI=1S/C11H19N3/c1-8-3-4-10(5-8)14-7-13-6-11(14)9(2)12/h6-10H,3-5,12H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyBZWCIGHOQVCKGI-KYHHOPLUSA-N
XLogP2.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine (CID 104943969) is (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine is CC1CCC(n2cncc2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine?
The InChIKey is BZWCIGHOQVCKGI-KYHHOPLUSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-3-4-10(5-8)14-7-13-6-11(14)9(2)12/h6-10H,3-5,12H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine?
(1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).