N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine

C11H18ClN3 — CID 130671829

IUPACN-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC(Cl)C(C)(C)C
InChIInChI=1S/C11H18ClN3/c1-8-10(14-6-5-13-8)15-7-9(12)11(2,3)4/h5-6,9H,7H2,1-4H3,(H,14,15)
InChIKeyDFMXSLHUIGVPNC-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.85
Rot. Bonds3

About N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine

N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine (PubChem CID 130671829) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine
PubChem CID130671829
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC(Cl)C(C)(C)C
InChIInChI=1S/C11H18ClN3/c1-8-10(14-6-5-13-8)15-7-9(12)11(2,3)4/h5-6,9H,7H2,1-4H3,(H,14,15)
InChIKeyDFMXSLHUIGVPNC-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.85
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

2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 106108396
N-(5-chloro-2,2-dimethylpentyl)-3-methylpyrazin-2-amine
CID 106142257
3-methyl-N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 83064931
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425
2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
CID 83064344
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
CID 83062656
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
N-(2,2-dimethylheptyl)-3-methylpyrazin-2-amine
CID 83063132
N-(2-ethoxyethyl)-3-methylpyrazin-2-amine
CID 83064556
3-methyl-2-[(3-methylpyrazin-2-yl)amino]butan-1-ol
CID 83063931
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine (CID 130671829) is N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine is Cc1nccnc1NCC(Cl)C(C)(C)C.
What is the InChIKey of N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine?
The InChIKey is DFMXSLHUIGVPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-10(14-6-5-13-8)15-7-9(12)11(2,3)4/h5-6,9H,7H2,1-4H3,(H,14,15).
What are the key properties of N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine?
N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3,3-dimethylbutyl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 130671829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).