N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide

C14H23N3 — CID 114097163

IUPACN-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H23N3/c15-17-14(16-10-3-1-2-4-10)13-11-8-5-6-9(7-8)12(11)13/h8-13H,1-7,15H2,(H,16,17)
InChIKeyMCOMVFZFWZMIFN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.08
Rot. Bonds2

About N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide

N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide (PubChem CID 114097163) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide
PubChem CID114097163
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H23N3/c15-17-14(16-10-3-1-2-4-10)13-11-8-5-6-9(7-8)12(11)13/h8-13H,1-7,15H2,(H,16,17)
InChIKeyMCOMVFZFWZMIFN-UHFFFAOYSA-N
XLogP2.08
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide (CID 114097163) is N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide is NN/C(=N\C1CCCC1)C1C2C3CCC(C3)C12.
What is the InChIKey of N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide?
The InChIKey is MCOMVFZFWZMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c15-17-14(16-10-3-1-2-4-10)13-11-8-5-6-9(7-8)12(11)13/h8-13H,1-7,15H2,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide?
N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide has a molecular weight of 233.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide is sourced from PubChem (CID 114097163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).