1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C15H25N3O — CID 104515704

IUPAC1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O/c1-15(2)7-5-11(6-8-15)12(16-3)13-14(19-4)18-10-9-17-13/h9-12,16H,5-8H2,1-4H3
InChIKeyNWJKJSJNTGKRQX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.96
Rot. Bonds4

About 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 104515704) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID104515704
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)C1CCC(C)(C)CC1
InChIInChI=1S/C15H25N3O/c1-15(2)7-5-11(6-8-15)12(16-3)13-14(19-4)18-10-9-17-13/h9-12,16H,5-8H2,1-4H3
InChIKeyNWJKJSJNTGKRQX-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105178723
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105031831
(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methanol
CID 105123934
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
tert-butyl 3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092671
[(3-methoxypyrazin-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233232
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516055
[(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105229413
1-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 104515854
1-cycloheptyl-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105176373

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 104515704) is 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1nccnc1OC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is NWJKJSJNTGKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2)7-5-11(6-8-15)12(16-3)13-14(19-4)18-10-9-17-13/h9-12,16H,5-8H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104515704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).