N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine

C14H22BrN3O — CID 80670105

IUPACN-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
SMILESCCCOc1cncc(N(CCBr)C2CCCC2)n1
InChIInChI=1S/C14H22BrN3O/c1-2-9-19-14-11-16-10-13(17-14)18(8-7-15)12-5-3-4-6-12/h10-12H,2-9H2,1H3
InChIKeyFBYWZZDSFLMQCP-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.41
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine

N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine (PubChem CID 80670105) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
PubChem CID80670105
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine
SMILESCCCOc1cncc(N(CCBr)C2CCCC2)n1
InChIInChI=1S/C14H22BrN3O/c1-2-9-19-14-11-16-10-13(17-14)18(8-7-15)12-5-3-4-6-12/h10-12H,2-9H2,1H3
InChIKeyFBYWZZDSFLMQCP-UHFFFAOYSA-N
XLogP3.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-6-propoxypyrazin-2-amine
CID 102871309
N-ethyl-6-propoxy-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106619398
N-(3-chloropropyl)-N-cyclobutyl-6-methoxypyrazin-2-amine
CID 102871504
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
CID 102871547
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
CID 80669086
N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
CID 80669094
N-(2-bromoethyl)-N-cyclobutyl-6-propylpyrimidin-4-amine
CID 102871599
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 80677181
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
CID 102871601
N-(2-bromoethyl)-N-cyclopentyl-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 80669323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine (CID 80670105) is N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine is CCCOc1cncc(N(CCBr)C2CCCC2)n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine?
The InChIKey is FBYWZZDSFLMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-2-9-19-14-11-16-10-13(17-14)18(8-7-15)12-5-3-4-6-12/h10-12H,2-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine?
N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-6-propoxypyrazin-2-amine is sourced from PubChem (CID 80670105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).