7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine

C12H24N2 — CID 144812775

IUPAC7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine
SMILESCCN1CC2NCCCC2C(C)(C)C1
InChIInChI=1S/C12H24N2/c1-4-14-8-11-10(6-5-7-13-11)12(2,3)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyWOJBCPQGKCWSDE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds1

About 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine

7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine (PubChem CID 144812775) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine.

Molecular Properties

Compound Name7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine
PubChem CID144812775
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine
SMILESCCN1CC2NCCCC2C(C)(C)C1
InChIInChI=1S/C12H24N2/c1-4-14-8-11-10(6-5-7-13-11)12(2,3)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyWOJBCPQGKCWSDE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075
1-ethyl-4,4-dimethylpyrrolidin-3-ol
CID 121207274
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
CID 102682618
1',1',2',2'-tetramethylspiro[2,3,4,4a,6,7,8,8a-octahydro-1H-quinoline-5,3'-cyclopropane]
CID 140941153
6-(2-ethylsulfonylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682496
(4aS,7aS)-6-(2-methylbutyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102670935
(4aS,7aS)-6-(2-methylidenebutyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683076
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]butan-2-ol
CID 102682678
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-cyclopropyl-N-ethylacetamide
CID 102682688
6-(cyclopropylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678700
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine?
The IUPAC name of 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine (CID 144812775) is 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine.
What is the SMILES notation for 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine?
The canonical SMILES for 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine is CCN1CC2NCCCC2C(C)(C)C1.
What is the InChIKey of 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine?
The InChIKey is WOJBCPQGKCWSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-14-8-11-10(6-5-7-13-11)12(2,3)9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine?
7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,5-dimethyl-1,2,3,4,4a,6,8,8a-octahydro-1,7-naphthyridine is sourced from PubChem (CID 144812775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).