N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

C14H25N3 — CID 115560245

IUPACN'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CC2CCCC2C1
InChIInChI=1S/C14H25N3/c15-14(16-13-7-2-1-3-8-13)17-9-11-5-4-6-12(11)10-17/h11-13H,1-10H2,(H2,15,16)
InChIKeyCIXGAYQOXZMHER-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.37
Rot. Bonds1

About N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (PubChem CID 115560245) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
PubChem CID115560245
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CC2CCCC2C1
InChIInChI=1S/C14H25N3/c15-14(16-13-7-2-1-3-8-13)17-9-11-5-4-6-12(11)10-17/h11-13H,1-10H2,(H2,15,16)
InChIKeyCIXGAYQOXZMHER-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The IUPAC name of N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (CID 115560245) is N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is N/C(=N\C1CCCCC1)N1CC2CCCC2C1.
What is the InChIKey of N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The InChIKey is CIXGAYQOXZMHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-14(16-13-7-2-1-3-8-13)17-9-11-5-4-6-12(11)10-17/h11-13H,1-10H2,(H2,15,16).
What are the key properties of N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide has a molecular weight of 235.37 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is sourced from PubChem (CID 115560245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).