1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine

C15H28N2 — CID 606438

IUPAC1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine
SMILESCCN1C2=NC(C)(C)CCC2(C)CCC1(C)C
InChIInChI=1S/C15H28N2/c1-7-17-12-15(6,11-9-14(17,4)5)10-8-13(2,3)16-12/h7-11H2,1-6H3
InChIKeyNNBGKYXNFFNNPL-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.86
Rot. Bonds1

About 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine

1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine (PubChem CID 606438) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine
PubChem CID606438
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine
SMILESCCN1C2=NC(C)(C)CCC2(C)CCC1(C)C
InChIInChI=1S/C15H28N2/c1-7-17-12-15(6,11-9-14(17,4)5)10-8-13(2,3)16-12/h7-11H2,1-6H3
InChIKeyNNBGKYXNFFNNPL-UHFFFAOYSA-N
XLogP3.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine?
The IUPAC name of 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine (CID 606438) is 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine is CCN1C2=NC(C)(C)CCC2(C)CCC1(C)C.
What is the InChIKey of 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine?
The InChIKey is NNBGKYXNFFNNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-17-12-15(6,11-9-14(17,4)5)10-8-13(2,3)16-12/h7-11H2,1-6H3.
What are the key properties of 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine?
1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine has a molecular weight of 236.40 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 606438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).