N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide

C13H18ClN3 — CID 62504643

IUPACN-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
SMILESNN/C(Cc1cccc(Cl)c1)=N\C1CCCC1
InChIInChI=1S/C13H18ClN3/c14-11-5-3-4-10(8-11)9-13(17-15)16-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,15H2,(H,16,17)
InChIKeyUYGNDDUXFXMNOM-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.69
Rot. Bonds3

About N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide

N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide (PubChem CID 62504643) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide.

Molecular Properties

Compound NameN-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
PubChem CID62504643
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide
SMILESNN/C(Cc1cccc(Cl)c1)=N\C1CCCC1
InChIInChI=1S/C13H18ClN3/c14-11-5-3-4-10(8-11)9-13(17-15)16-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,15H2,(H,16,17)
InChIKeyUYGNDDUXFXMNOM-UHFFFAOYSA-N
XLogP2.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.69
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-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide?
The IUPAC name of N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide (CID 62504643) is N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide.
What is the SMILES notation for N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide?
The canonical SMILES for N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide is NN/C(Cc1cccc(Cl)c1)=N\C1CCCC1.
What is the InChIKey of N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide?
The InChIKey is UYGNDDUXFXMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c14-11-5-3-4-10(8-11)9-13(17-15)16-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9,15H2,(H,16,17).
What are the key properties of N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide?
N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide has a molecular weight of 251.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-(3-chlorophenyl)-N'-cyclopentylethanimidamide is sourced from PubChem (CID 62504643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).