2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide

C13H17BrN2 — CID 130430241

IUPAC2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H17BrN2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H3,15,16)
InChIKeyHWSQWYZCHQJAEO-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.59
Rot. Bonds3

About 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide

2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide (PubChem CID 130430241) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide
PubChem CID130430241
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(c2cccc(Br)c2)CCCC1
InChIInChI=1S/C13H17BrN2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H3,15,16)
InChIKeyHWSQWYZCHQJAEO-UHFFFAOYSA-N
XLogP3.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
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 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide?
The IUPAC name of 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide (CID 130430241) is 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide.
What is the SMILES notation for 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide?
The canonical SMILES for 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide is [H]/N=C(\N)CC1(c2cccc(Br)c2)CCCC1.
What is the InChIKey of 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide?
The InChIKey is HWSQWYZCHQJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c14-11-5-3-4-10(8-11)13(9-12(15)16)6-1-2-7-13/h3-5,8H,1-2,6-7,9H2,(H3,15,16).
What are the key properties of 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide?
2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide has a molecular weight of 281.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)cyclopentyl]ethanimidamide is sourced from PubChem (CID 130430241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).