N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine

C12H18ClN3O — CID 106125259

IUPACN-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCC2CCCC(Cl)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-17-12-8-14-7-11(16-12)15-6-9-3-2-4-10(13)5-9/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyMMXFPKBFBGTRON-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.69
Rot. Bonds4

About N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine

N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine (PubChem CID 106125259) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
PubChem CID106125259
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCC2CCCC(Cl)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-17-12-8-14-7-11(16-12)15-6-9-3-2-4-10(13)5-9/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyMMXFPKBFBGTRON-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-6-methoxypyrazin-2-amine
CID 155403653
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrazin-2-amine
CID 106126810
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
CID 114146705
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
N-[[4-(aminomethyl)cyclohexyl]methyl]-6-chloropyrazin-2-amine
CID 114231610
N-cyclopropyl-6-methoxypyrazin-2-amine
CID 127009614
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703
N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine
CID 65027262
6-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973532
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 65028110

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine (CID 106125259) is N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine is COc1cncc(NCC2CCCC(Cl)C2)n1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine?
The InChIKey is MMXFPKBFBGTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-17-12-8-14-7-11(16-12)15-6-9-3-2-4-10(13)5-9/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine?
N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine is sourced from PubChem (CID 106125259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).