7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine

C17H29N3O — CID 176962231

IUPAC7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
SMILESCOCCN.c1cc2c(nc1CCC1CCC1)NCCC2
InChIInChI=1S/C14H20N2.C3H9NO/c1-3-11(4-1)6-8-13-9-7-12-5-2-10-15-14(12)16-13;1-5-3-2-4/h7,9,11H,1-6,8,10H2,(H,15,16);2-4H2,1H3
InChIKeyDXYYTFRUIIXMOJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.76
Rot. Bonds5

About 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine

7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine (PubChem CID 176962231) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine.

Molecular Properties

Compound Name7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
PubChem CID176962231
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
SMILESCOCCN.c1cc2c(nc1CCC1CCC1)NCCC2
InChIInChI=1S/C14H20N2.C3H9NO/c1-3-11(4-1)6-8-13-9-7-12-5-2-10-15-14(12)16-13;1-5-3-2-4/h7,9,11H,1-6,8,10H2,(H,15,16);2-4H2,1H3
InChIKeyDXYYTFRUIIXMOJ-UHFFFAOYSA-N
XLogP2.76
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane;methyl 2-formamido-4-(2-methoxyethylamino)butanoate
CID 176962002
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid
CID 135156560
3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
CID 175526978
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 146423040
methyl (E)-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-2-enoate
CID 130453958
1-ethyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-2-one
CID 20641785
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
CID 146423102
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine?
The IUPAC name of 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine (CID 176962231) is 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine.
What is the SMILES notation for 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine?
The canonical SMILES for 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine is COCCN.c1cc2c(nc1CCC1CCC1)NCCC2.
What is the InChIKey of 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine?
The InChIKey is DXYYTFRUIIXMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C3H9NO/c1-3-11(4-1)6-8-13-9-7-12-5-2-10-15-14(12)16-13;1-5-3-2-4/h7,9,11H,1-6,8,10H2,(H,15,16);2-4H2,1H3.
What are the key properties of 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine?
7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine is sourced from PubChem (CID 176962231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).