N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine

C17H29N3O — CID 66465906

IUPACN-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(Oc2cncc(CNC(C)(C)C)n2)CC1C
InChIInChI=1S/C17H29N3O/c1-12-6-7-15(8-13(12)2)21-16-11-18-9-14(20-16)10-19-17(3,4)5/h9,11-13,15,19H,6-8,10H2,1-5H3
InChIKeyJDRMSLGFMVRUGZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.57
Rot. Bonds4

About N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine

N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66465906) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID66465906
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(Oc2cncc(CNC(C)(C)C)n2)CC1C
InChIInChI=1S/C17H29N3O/c1-12-6-7-15(8-13(12)2)21-16-11-18-9-14(20-16)10-19-17(3,4)5/h9,11-13,15,19H,6-8,10H2,1-5H3
InChIKeyJDRMSLGFMVRUGZ-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine (CID 66465906) is N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine is CC1CCC(Oc2cncc(CNC(C)(C)C)n2)CC1C.
What is the InChIKey of N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JDRMSLGFMVRUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12-6-7-15(8-13(12)2)21-16-11-18-9-14(20-16)10-19-17(3,4)5/h9,11-13,15,19H,6-8,10H2,1-5H3.
What are the key properties of N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66465906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).