N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine

C14H22ClN3O — CID 65028110

IUPACN-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-7-11-5-3-4-6-12(11)15/h8-12H,3-7H2,1-2H3,(H,17,18)
InChIKeyWQHGOBQSPIQHCX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine

N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 65028110) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID65028110
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCC2CCCCC2Cl)n1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-7-11-5-3-4-6-12(11)15/h8-12H,3-7H2,1-2H3,(H,17,18)
InChIKeyWQHGOBQSPIQHCX-UHFFFAOYSA-N
XLogP3.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.47
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-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484080
N-[(2-chlorocyclohexyl)methyl]pyrazin-2-amine
CID 65029619
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
N-(cyclohexylmethyl)-6-methoxypyrazin-2-amine
CID 155403653
N-(1-cyclohexylpiperidin-4-yl)-6-propan-2-yloxypyrazin-2-amine
CID 133485190
N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
CID 65027123
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113293077
2-ethyl-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 115306323
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
CID 106125259

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine (CID 65028110) is N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine is CC(C)Oc1cncc(NCC2CCCCC2Cl)n1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is WQHGOBQSPIQHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)19-14-9-16-8-13(18-14)17-7-11-5-3-4-6-12(11)15/h8-12H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine?
N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 283.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 65028110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).