N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide

C15H29N3O — CID 62362081

IUPACN'-cyclohexyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C2CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-11-19-14-9-6-10-18(12-14)15(16)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyRPXSSEVYONPPRR-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.52
Rot. Bonds4

About N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide

N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide (PubChem CID 62362081) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3-propoxypiperidine-1-carboximidamide
PubChem CID62362081
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN'-cyclohexyl-3-propoxypiperidine-1-carboximidamide
SMILESCCCOC1CCCN(/C(N)=N/C2CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-2-11-19-14-9-6-10-18(12-14)15(16)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyRPXSSEVYONPPRR-UHFFFAOYSA-N
XLogP2.52
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propoxypiperidine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide (CID 62362081) is N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide is CCCOC1CCCN(/C(N)=N/C2CCCCC2)C1.
What is the InChIKey of N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide?
The InChIKey is RPXSSEVYONPPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-11-19-14-9-6-10-18(12-14)15(16)17-13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H2,16,17).
What are the key properties of N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide?
N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-propoxypiperidine-1-carboximidamide is sourced from PubChem (CID 62362081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).