N'-(3-phenylpropyl)cyclohexanecarboximidamide

C16H24N2 — CID 63175493

IUPACN'-(3-phenylpropyl)cyclohexanecarboximidamide
SMILESN/C(=N\CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24N2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18)
InChIKeyGBLWAMLTCLYOLM-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.56
Rot. Bonds5

About N'-(3-phenylpropyl)cyclohexanecarboximidamide

N'-(3-phenylpropyl)cyclohexanecarboximidamide (PubChem CID 63175493) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N'-(3-phenylpropyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(3-phenylpropyl)cyclohexanecarboximidamide
PubChem CID63175493
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN'-(3-phenylpropyl)cyclohexanecarboximidamide
SMILESN/C(=N\CCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24N2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18)
InChIKeyGBLWAMLTCLYOLM-UHFFFAOYSA-N
XLogP3.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(3-phenylpropyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(3-phenylpropyl)cyclohexanecarboximidamide (CID 63175493) is N'-(3-phenylpropyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(3-phenylpropyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(3-phenylpropyl)cyclohexanecarboximidamide is N/C(=N\CCCc1ccccc1)C1CCCCC1.
What is the InChIKey of N'-(3-phenylpropyl)cyclohexanecarboximidamide?
The InChIKey is GBLWAMLTCLYOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18).
What are the key properties of N'-(3-phenylpropyl)cyclohexanecarboximidamide?
N'-(3-phenylpropyl)cyclohexanecarboximidamide has a molecular weight of 244.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylpropyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63175493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).