2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline

C16H25N3 — CID 81215343

IUPAC2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCCN(C)CC3)ccc2N1
InChIInChI=1S/C16H25N3/c1-13-4-5-14-12-15(6-7-16(14)17-13)19-9-3-8-18(2)10-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyDSRZJTBHSPSYSR-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds1

About 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215343) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215343
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCCN(C)CC3)ccc2N1
InChIInChI=1S/C16H25N3/c1-13-4-5-14-12-15(6-7-16(14)17-13)19-9-3-8-18(2)10-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3
InChIKeyDSRZJTBHSPSYSR-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215343) is 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(N3CCCN(C)CC3)ccc2N1.
What is the InChIKey of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DSRZJTBHSPSYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-4-5-14-12-15(6-7-16(14)17-13)19-9-3-8-18(2)10-11-19/h6-7,12-13,17H,3-5,8-11H2,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.40 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).