N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide

C16H29N3 — CID 62931830

IUPACN'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29N3/c17-15(18-14-6-2-3-7-14)19-12-10-16(11-13-19)8-4-1-5-9-16/h14H,1-13H2,(H2,17,18)
InChIKeyPXSOAIVHCIWZFO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.29
Rot. Bonds1

About N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide

N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide (PubChem CID 62931830) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide
PubChem CID62931830
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29N3/c17-15(18-14-6-2-3-7-14)19-12-10-16(11-13-19)8-4-1-5-9-16/h14H,1-13H2,(H2,17,18)
InChIKeyPXSOAIVHCIWZFO-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.29
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'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The IUPAC name of N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide (CID 62931830) is N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide is N/C(=N\C1CCCC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide?
The InChIKey is PXSOAIVHCIWZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c17-15(18-14-6-2-3-7-14)19-12-10-16(11-13-19)8-4-1-5-9-16/h14H,1-13H2,(H2,17,18).
What are the key properties of N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide?
N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide has a molecular weight of 263.43 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3-azaspiro[5.5]undecane-3-carboximidamide is sourced from PubChem (CID 62931830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).