2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine

C11H20N2 — CID 145471858

IUPAC2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine
SMILESCCN1CCC2=C(CN(C)CC2)C1
InChIInChI=1S/C11H20N2/c1-3-13-7-5-10-4-6-12(2)8-11(10)9-13/h3-9H2,1-2H3
InChIKeyLEYSJOUCCOEOLZ-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.34
Rot. Bonds1

About 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine

2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine (PubChem CID 145471858) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine
PubChem CID145471858
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine
SMILESCCN1CCC2=C(CN(C)CC2)C1
InChIInChI=1S/C11H20N2/c1-3-13-7-5-10-4-6-12(2)8-11(10)9-13/h3-9H2,1-2H3
InChIKeyLEYSJOUCCOEOLZ-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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5-methyl-3,4,6,7-tetrahydro-2H-thieno[3,2-c]pyridine
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N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine?
The IUPAC name of 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine (CID 145471858) is 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine.
What is the SMILES notation for 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine?
The canonical SMILES for 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine is CCN1CCC2=C(CN(C)CC2)C1.
What is the InChIKey of 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine?
The InChIKey is LEYSJOUCCOEOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-13-7-5-10-4-6-12(2)8-11(10)9-13/h3-9H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine?
2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine has a molecular weight of 180.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1,3,4,5,6,8-hexahydro-2,7-naphthyridine is sourced from PubChem (CID 145471858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).