7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane

C19H33N3 — CID 177029160

IUPAC7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
SMILESCC.c1cc2c(nc1CCCCCCC1CNC1)NCCC2
InChIInChI=1S/C17H27N3.C2H6/c1(3-6-14-12-18-13-14)2-4-8-16-10-9-15-7-5-11-19-17(15)20-16;1-2/h9-10,14,18H,1-8,11-13H2,(H,19,20);1-2H3
InChIKeyKERKENIWEMWTEC-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.18
Rot. Bonds7

About 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane

7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane (PubChem CID 177029160) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane.

Molecular Properties

Compound Name7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
PubChem CID177029160
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
SMILESCC.c1cc2c(nc1CCCCCCC1CNC1)NCCC2
InChIInChI=1S/C17H27N3.C2H6/c1(3-6-14-12-18-13-14)2-4-8-16-10-9-15-7-5-11-19-17(15)20-16;1-2/h9-10,14,18H,1-8,11-13H2,(H,19,20);1-2H3
InChIKeyKERKENIWEMWTEC-UHFFFAOYSA-N
XLogP4.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
CID 146423102
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 170052630
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417599
7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417597
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 146423040
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
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
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671

Frequently Asked Questions

What is the IUPAC name of 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The IUPAC name of 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane (CID 177029160) is 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane.
What is the SMILES notation for 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The canonical SMILES for 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane is CC.c1cc2c(nc1CCCCCCC1CNC1)NCCC2.
What is the InChIKey of 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
The InChIKey is KERKENIWEMWTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.C2H6/c1(3-6-14-12-18-13-14)2-4-8-16-10-9-15-7-5-11-19-17(15)20-16;1-2/h9-10,14,18H,1-8,11-13H2,(H,19,20);1-2H3.
What are the key properties of 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane?
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane has a molecular weight of 303.49 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane is sourced from PubChem (CID 177029160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).