N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine

C13H20ClN3 — CID 106126001

IUPACN-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCC2CCC(Cl)CC2)nc1C
InChIInChI=1S/C13H20ClN3/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(14)6-4-11/h8,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyKKUXZJGBKGLSGD-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.30
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine

N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 106126001) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
PubChem CID106126001
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCC2CCC(Cl)CC2)nc1C
InChIInChI=1S/C13H20ClN3/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(14)6-4-11/h8,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyKKUXZJGBKGLSGD-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.30
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

4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130416
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridazin-3-amine
CID 106125783
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
N-(2-cyclohexylethyl)-5,6-dimethylpyrazin-2-amine
CID 114475372
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114474524
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
6-(cyclopropylmethylamino)-2-methylpyridine-3-sulfonyl chloride
CID 58327505
N-[4-(2-methoxyethoxy)butyl]-5,6-dimethylpyrazin-2-amine
CID 114476158

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine (CID 106126001) is N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCC2CCC(Cl)CC2)nc1C.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is KKUXZJGBKGLSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(14)6-4-11/h8,11-12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine?
N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 253.78 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 106126001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).