1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline

C15H26N2 — CID 139398983

IUPAC1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline
SMILESCCCC(CC)N1CCN(C)C2C=CC=CC21
InChIInChI=1S/C15H26N2/c1-4-8-13(5-2)17-12-11-16(3)14-9-6-7-10-15(14)17/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3
InChIKeyMBIRRQOCQCWQNQ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds4

About 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline

1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline (PubChem CID 139398983) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline.

Molecular Properties

Compound Name1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline
PubChem CID139398983
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline
SMILESCCCC(CC)N1CCN(C)C2C=CC=CC21
InChIInChI=1S/C15H26N2/c1-4-8-13(5-2)17-12-11-16(3)14-9-6-7-10-15(14)17/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3
InChIKeyMBIRRQOCQCWQNQ-UHFFFAOYSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline?
The IUPAC name of 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline (CID 139398983) is 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline.
What is the SMILES notation for 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline?
The canonical SMILES for 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline is CCCC(CC)N1CCN(C)C2C=CC=CC21.
What is the InChIKey of 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline?
The InChIKey is MBIRRQOCQCWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-13(5-2)17-12-11-16(3)14-9-6-7-10-15(14)17/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline?
1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline has a molecular weight of 234.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline is sourced from PubChem (CID 139398983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).