6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine

C11H18N2 — CID 58229499

IUPAC6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
SMILESCC(C)N1CCC2N=CC=CC2C1
InChIInChI=1S/C11H18N2/c1-9(2)13-7-5-11-10(8-13)4-3-6-12-11/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyNDCQAJXUOYCRNN-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.73
Rot. Bonds1

About 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine

6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine (PubChem CID 58229499) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine.

Molecular Properties

Compound Name6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
PubChem CID58229499
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
SMILESCC(C)N1CCC2N=CC=CC2C1
InChIInChI=1S/C11H18N2/c1-9(2)13-7-5-11-10(8-13)4-3-6-12-11/h3-4,6,9-11H,5,7-8H2,1-2H3
InChIKeyNDCQAJXUOYCRNN-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine?
The IUPAC name of 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine (CID 58229499) is 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine.
What is the SMILES notation for 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine?
The canonical SMILES for 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine is CC(C)N1CCC2N=CC=CC2C1.
What is the InChIKey of 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine?
The InChIKey is NDCQAJXUOYCRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)13-7-5-11-10(8-13)4-3-6-12-11/h3-4,6,9-11H,5,7-8H2,1-2H3.
What are the key properties of 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine?
6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine has a molecular weight of 178.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine is sourced from PubChem (CID 58229499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).