N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine

C12H17BrN2 — CID 102878934

IUPACN-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
SMILESCc1cncc(CN(CCBr)C2CC2)c1
InChIInChI=1S/C12H17BrN2/c1-10-6-11(8-14-7-10)9-15(5-4-13)12-2-3-12/h6-8,12H,2-5,9H2,1H3
InChIKeyRCYHROMETGKALJ-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.75
Rot. Bonds5

About N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine

N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 102878934) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
PubChem CID102878934
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
SMILESCc1cncc(CN(CCBr)C2CC2)c1
InChIInChI=1S/C12H17BrN2/c1-10-6-11(8-14-7-10)9-15(5-4-13)12-2-3-12/h6-8,12H,2-5,9H2,1H3
InChIKeyRCYHROMETGKALJ-UHFFFAOYSA-N
XLogP2.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.75
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-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine (CID 102878934) is N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine is Cc1cncc(CN(CCBr)C2CC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RCYHROMETGKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-10-6-11(8-14-7-10)9-15(5-4-13)12-2-3-12/h6-8,12H,2-5,9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine?
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 269.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 102878934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).