N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine

C9H18BrNO — CID 61452191

IUPACN-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCCBr)C1CC1
InChIInChI=1S/C9H18BrNO/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyKBVKIFDERSQTEN-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds7

About N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine

N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 61452191) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine
PubChem CID61452191
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC NameN-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CCCBr)C1CC1
InChIInChI=1S/C9H18BrNO/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyKBVKIFDERSQTEN-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine (CID 61452191) is N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine is COCCN(CCCBr)C1CC1.
What is the InChIKey of N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is KBVKIFDERSQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine?
N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 236.15 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 61452191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).