cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine

C13H19N3O — CID 24745800

IUPACcis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine
SMILESC/C(=N\OCc1ccccn1)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C13H19N3O/c1-10(11-5-6-12(14)8-11)16-17-9-13-4-2-3-7-15-13/h2-4,7,11-12H,5-6,8-9,14H2,1H3/b16-10+/t11-,12+/m0/s1
InChIKeyPSWCIQYEPPIEMW-AWOYWQDDSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds4

About cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine

cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine (PubChem CID 24745800) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine
PubChem CID24745800
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Namecis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine
SMILESC/C(=N\OCc1ccccn1)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C13H19N3O/c1-10(11-5-6-12(14)8-11)16-17-9-13-4-2-3-7-15-13/h2-4,7,11-12H,5-6,8-9,14H2,1H3/b16-10+/t11-,12+/m0/s1
InChIKeyPSWCIQYEPPIEMW-AWOYWQDDSA-N
XLogP2.10
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine (CID 24745800) is cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine is C/C(=N\OCc1ccccn1)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine?
The InChIKey is PSWCIQYEPPIEMW-AWOYWQDDSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(11-5-6-12(14)8-11)16-17-9-13-4-2-3-7-15-13/h2-4,7,11-12H,5-6,8-9,14H2,1H3/b16-10+/t11-,12+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine?
cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine is sourced from PubChem (CID 24745800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).