N-amino-N'-cycloheptylpyridine-2-carboximidamide

C13H20N4 — CID 61361948

IUPACN-amino-N'-cycloheptylpyridine-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccccn1
InChIInChI=1S/C13H20N4/c14-17-13(12-9-5-6-10-15-12)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,14H2,(H,16,17)
InChIKeyCNABVQQVVAVXRW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds2

About N-amino-N'-cycloheptylpyridine-2-carboximidamide

N-amino-N'-cycloheptylpyridine-2-carboximidamide (PubChem CID 61361948) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-amino-N'-cycloheptylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptylpyridine-2-carboximidamide
PubChem CID61361948
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-amino-N'-cycloheptylpyridine-2-carboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1ccccn1
InChIInChI=1S/C13H20N4/c14-17-13(12-9-5-6-10-15-12)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,14H2,(H,16,17)
InChIKeyCNABVQQVVAVXRW-UHFFFAOYSA-N
XLogP2.01
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptylpyridine-2-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptylpyridine-2-carboximidamide (CID 61361948) is N-amino-N'-cycloheptylpyridine-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptylpyridine-2-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptylpyridine-2-carboximidamide is NN/C(=N\C1CCCCCC1)c1ccccn1.
What is the InChIKey of N-amino-N'-cycloheptylpyridine-2-carboximidamide?
The InChIKey is CNABVQQVVAVXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-17-13(12-9-5-6-10-15-12)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,14H2,(H,16,17).
What are the key properties of N-amino-N'-cycloheptylpyridine-2-carboximidamide?
N-amino-N'-cycloheptylpyridine-2-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptylpyridine-2-carboximidamide is sourced from PubChem (CID 61361948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).