1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine

C16H27N3O — CID 104515711

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2nccnc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-4-5-12-6-8-13(9-7-12)14(17-2)15-16(20-3)19-11-10-18-15/h10-14,17H,4-9H2,1-3H3
InChIKeyDOJQNDCVNBCHAY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds6

About 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine

1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine (PubChem CID 104515711) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
PubChem CID104515711
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(C(NC)c2nccnc2OC)CC1
InChIInChI=1S/C16H27N3O/c1-4-5-12-6-8-13(9-7-12)14(17-2)15-16(20-3)19-11-10-18-15/h10-14,17H,4-9H2,1-3H3
InChIKeyDOJQNDCVNBCHAY-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515704
1-(1-ethylimidazol-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65423382
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105178723
[(3-methoxypyrazin-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233232
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105031831
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 82793249
3-cyclopentyl-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 105032011
1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860477
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine (CID 104515711) is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine is CCCC1CCC(C(NC)c2nccnc2OC)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
The InChIKey is DOJQNDCVNBCHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-12-6-8-13(9-7-12)14(17-2)15-16(20-3)19-11-10-18-15/h10-14,17H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine?
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine is sourced from PubChem (CID 104515711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).