2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine

C14H29N3O — CID 81198469

IUPAC2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine
SMILESCCOC(CN)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H29N3O/c1-3-18-13(9-15)11-17-8-6-14-12(10-17)5-4-7-16(14)2/h12-14H,3-11,15H2,1-2H3
InChIKeyHBXIOWDUKDYRAG-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds5

About 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine

2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine (PubChem CID 81198469) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine
PubChem CID81198469
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine
SMILESCCOC(CN)CN1CCC2C(CCCN2C)C1
InChIInChI=1S/C14H29N3O/c1-3-18-13(9-15)11-17-8-6-14-12(10-17)5-4-7-16(14)2/h12-14H,3-11,15H2,1-2H3
InChIKeyHBXIOWDUKDYRAG-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine (CID 81198469) is 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine is CCOC(CN)CN1CCC2C(CCCN2C)C1.
What is the InChIKey of 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine?
The InChIKey is HBXIOWDUKDYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-18-13(9-15)11-17-8-6-14-12(10-17)5-4-7-16(14)2/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine?
2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-amine is sourced from PubChem (CID 81198469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).