N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine

C12H20ClN3 — CID 106142257

IUPACN-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC(C)(C)CCCCl
InChIInChI=1S/C12H20ClN3/c1-10-11(15-8-7-14-10)16-9-12(2,3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyGLILNTVKPWFVNH-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.24
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine

N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine (PubChem CID 106142257) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
PubChem CID106142257
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC(C)(C)CCCCl
InChIInChI=1S/C12H20ClN3/c1-10-11(15-8-7-14-10)16-9-12(2,3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyGLILNTVKPWFVNH-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-methylbutyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 123481258
5-tert-butyl-N-ethylpyrazin-2-amine
CID 68354119
6-methyl-N-pentylpyrazin-2-amine
CID 69119754
N-butan-2-yl-6-(chloromethyl)pyrazin-2-amine
CID 91464633
5-methyl-N-(4-methylhexyl)pyrazin-2-amine;molecular hydrogen
CID 141873945
5-methyl-N-pentylpyrazin-2-amine
CID 143786994
5-methyl-N-[(1-methylcyclopentyl)methyl]pyrazin-2-amine
CID 144905184
2-(2-Ethylhexylamino)-3-methyl pyrazine
CID 518419
2-(N-n-Hexylamino)-3-methyl pyrazine
CID 518423
2-[4-(Chloromethyl)piperidino]-6-methylpyrazine
CID 18525901
2-(3-(Chloromethyl)piperidin-1-yl)-6-methylpyrazine
CID 24229601
2-[(3R)-3-(chloromethyl)piperidin-1-yl]-6-methylpyrazine
CID 26343632

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine (CID 106142257) is N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine is Cc1nccnc1NCC(C)(C)CCCCl.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine?
The InChIKey is GLILNTVKPWFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-10-11(15-8-7-14-10)16-9-12(2,3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine?
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine has a molecular weight of 241.77 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 106142257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).