6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

C15H28N2 — CID 82931358

IUPAC6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESC1CCCC(N2CCC3NCCCC3C2)CC1
InChIInChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17-11-9-15-13(12-17)6-5-10-16-15/h13-16H,1-12H2
InChIKeyDZHFMWWRRIDJSF-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.78
Rot. Bonds1

About 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (PubChem CID 82931358) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.

Molecular Properties

Compound Name6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
PubChem CID82931358
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESC1CCCC(N2CCC3NCCCC3C2)CC1
InChIInChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17-11-9-15-13(12-17)6-5-10-16-15/h13-16H,1-12H2
InChIKeyDZHFMWWRRIDJSF-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine with MolForge

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Related Compounds

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CID 64945306
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1,2,3,4,4a,5,7,8,9,9a,10,10a-dodecahydropyrrolo[1,2-g][1,6]naphthyridine
CID 112714709
1-cyclooctyl-3-cyclopropylpiperazine
CID 64924583
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678482
1-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-2-ylpiperidine
CID 62977717
6-(1-methylazepan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678465
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CID 102678774
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane
CID 68721313
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The IUPAC name of 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (CID 82931358) is 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.
What is the SMILES notation for 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The canonical SMILES for 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is C1CCCC(N2CCC3NCCCC3C2)CC1.
What is the InChIKey of 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The InChIKey is DZHFMWWRRIDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-4-8-14(7-3-1)17-11-9-15-13(12-17)6-5-10-16-15/h13-16H,1-12H2.
What are the key properties of 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine has a molecular weight of 236.40 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is sourced from PubChem (CID 82931358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).