cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine

C15H25N3 — CID 97096725

IUPACcis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine
SMILESCC[C@@H]1CC[C@H](NC[C@@H]2CCCn3ccnc32)C1
InChIInChI=1S/C15H25N3/c1-2-12-5-6-14(10-12)17-11-13-4-3-8-18-9-7-16-15(13)18/h7,9,12-14,17H,2-6,8,10-11H2,1H3/t12-,13+,14+/m1/s1
InChIKeyFQWBUBDKNHTEOY-RDBSUJKOSA-N
MW247.39 g/mol
LogP2.93
Rot. Bonds4

About cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine

cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine (PubChem CID 97096725) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine
PubChem CID97096725
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Namecis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine
SMILESCC[C@@H]1CC[C@H](NC[C@@H]2CCCn3ccnc32)C1
InChIInChI=1S/C15H25N3/c1-2-12-5-6-14(10-12)17-11-13-4-3-8-18-9-7-16-15(13)18/h7,9,12-14,17H,2-6,8,10-11H2,1H3/t12-,13+,14+/m1/s1
InChIKeyFQWBUBDKNHTEOY-RDBSUJKOSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine (CID 97096725) is cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine is CC[C@@H]1CC[C@H](NC[C@@H]2CCCn3ccnc32)C1.
What is the InChIKey of cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine?
The InChIKey is FQWBUBDKNHTEOY-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-12-5-6-14(10-12)17-11-13-4-3-8-18-9-7-16-15(13)18/h7,9,12-14,17H,2-6,8,10-11H2,1H3/t12-,13+,14+/m1/s1.
What are the key properties of cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethyl-N-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 97096725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).