N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine

C12H20ClN3 — CID 63388448

IUPACN-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine
SMILESCc1cnc(C)c(N(CCCCl)C(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-9(2)16(7-5-6-13)12-11(4)14-8-10(3)15-12/h8-9H,5-7H2,1-4H3
InChIKeyJRJYJLYJNFFFFG-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.94
Rot. Bonds5

About N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine

N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine (PubChem CID 63388448) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine
PubChem CID63388448
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine
SMILESCc1cnc(C)c(N(CCCCl)C(C)C)n1
InChIInChI=1S/C12H20ClN3/c1-9(2)16(7-5-6-13)12-11(4)14-8-10(3)15-12/h8-9H,5-7H2,1-4H3
InChIKeyJRJYJLYJNFFFFG-UHFFFAOYSA-N
XLogP2.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine (CID 63388448) is N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine is Cc1cnc(C)c(N(CCCCl)C(C)C)n1.
What is the InChIKey of N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
The InChIKey is JRJYJLYJNFFFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)16(7-5-6-13)12-11(4)14-8-10(3)15-12/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine?
N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3,6-dimethyl-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 63388448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).