N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide

C14H20N2 — CID 79872687

IUPACN'-(2,2-dimethylcyclopentyl)benzenecarboximidamide
SMILESCC1(C)CCCC1/N=C(\N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-14(2)10-6-9-12(14)16-13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3,(H2,15,16)
InChIKeyCXXOHRHQIBQXRF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.97
Rot. Bonds2

About N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide

N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide (PubChem CID 79872687) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclopentyl)benzenecarboximidamide
PubChem CID79872687
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN'-(2,2-dimethylcyclopentyl)benzenecarboximidamide
SMILESCC1(C)CCCC1/N=C(\N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-14(2)10-6-9-12(14)16-13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3,(H2,15,16)
InChIKeyCXXOHRHQIBQXRF-UHFFFAOYSA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.97
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'-(2,2-dimethylcyclopentyl)benzenecarboximidamide?
The IUPAC name of N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide (CID 79872687) is N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide?
The canonical SMILES for N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide is CC1(C)CCCC1/N=C(\N)c1ccccc1.
What is the InChIKey of N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide?
The InChIKey is CXXOHRHQIBQXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-14(2)10-6-9-12(14)16-13(15)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide?
N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide has a molecular weight of 216.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide is sourced from PubChem (CID 79872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).