7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

C14H22N2 — CID 177029071

IUPAC7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC(CC)Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C14H22N2/c1-3-11(4-2)10-13-8-7-12-6-5-9-15-14(12)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyZVTQDRIRQIFDPL-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.42
Rot. Bonds4

About 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 177029071) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID177029071
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCCC(CC)Cc1ccc2c(n1)NCCC2
InChIInChI=1S/C14H22N2/c1-3-11(4-2)10-13-8-7-12-6-5-9-15-14(12)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyZVTQDRIRQIFDPL-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054842
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanesulfonamide
CID 69025708
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 157406888
7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 177029071) is 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is CCC(CC)Cc1ccc2c(n1)NCCC2.
What is the InChIKey of 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is ZVTQDRIRQIFDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-11(4-2)10-13-8-7-12-6-5-9-15-14(12)16-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 218.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 177029071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).