1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine

C18H36N2 — CID 170264259

IUPAC1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESCC(C)(C)CN1CCCC2C1CCCN2CC(C)(C)C
InChIInChI=1S/C18H36N2/c1-17(2,3)13-19-11-7-10-16-15(19)9-8-12-20(16)14-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyQTDXUXWRVRVOJP-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.01
Rot. Bonds2

About 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine

1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine (PubChem CID 170264259) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine.

Molecular Properties

Compound Name1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
PubChem CID170264259
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESCC(C)(C)CN1CCCC2C1CCCN2CC(C)(C)C
InChIInChI=1S/C18H36N2/c1-17(2,3)13-19-11-7-10-16-15(19)9-8-12-20(16)14-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyQTDXUXWRVRVOJP-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine with MolForge

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Related Compounds

2-tert-butyl-1-(2,2-dimethylpropyl)piperidine
CID 177261247
(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
1,1,1,3,3,3-hexafluoro-2-[[(2R)-2-[(2R)-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]propan-2-ol
CID 101490684
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 102726837
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
(2S)-1-(2,2-dimethylpropyl)-N-methylpyrrolidine-2-carboxamide
CID 140912286
N-[[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methyl]aniline
CID 58780771
2-tert-butyl-1-(2,2-dimethylpropyl)azetidine
CID 177261232
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
methyl (2R,3S)-1-(2,2-dimethylpropyl)-3-hydroxypiperidine-2-carboxylate
CID 139572605

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The IUPAC name of 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine (CID 170264259) is 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine.
What is the SMILES notation for 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The canonical SMILES for 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine is CC(C)(C)CN1CCCC2C1CCCN2CC(C)(C)C.
What is the InChIKey of 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
The InChIKey is QTDXUXWRVRVOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)13-19-11-7-10-16-15(19)9-8-12-20(16)14-18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine?
1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine has a molecular weight of 280.50 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2,2-dimethylpropyl)-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine is sourced from PubChem (CID 170264259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).