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

C13H26N2 — CID 144812705

IUPAC1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine
SMILESCC(C)C1(C)CCN(C)C2CNCCC21
InChIInChI=1S/C13H26N2/c1-10(2)13(3)6-8-15(4)12-9-14-7-5-11(12)13/h10-12,14H,5-9H2,1-4H3
InChIKeyOWAHQHPTGCNFEZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.96
Rot. Bonds1

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

1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine (PubChem CID 144812705) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine.

Molecular Properties

Compound Name1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine
PubChem CID144812705
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine
SMILESCC(C)C1(C)CCN(C)C2CNCCC21
InChIInChI=1S/C13H26N2/c1-10(2)13(3)6-8-15(4)12-9-14-7-5-11(12)13/h10-12,14H,5-9H2,1-4H3
InChIKeyOWAHQHPTGCNFEZ-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 82418150
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
CID 134386945
1-methyl-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[3,4-e][1,4]oxazepine
CID 130886927
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
CID 176945855
3-methyl-1-(4-methylpiperidin-3-yl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 63329575
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
2-(1-methylpyrrolidin-2-yl)piperazine
CID 174931045
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
2-(1-methylpiperazin-2-yl)-1-azabicyclo[2.2.2]octane
CID 19420335

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine?
The IUPAC name of 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine (CID 144812705) is 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine.
What is the SMILES notation for 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine?
The canonical SMILES for 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine is CC(C)C1(C)CCN(C)C2CNCCC21.
What is the InChIKey of 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine?
The InChIKey is OWAHQHPTGCNFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)13(3)6-8-15(4)12-9-14-7-5-11(12)13/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine?
1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine has a molecular weight of 210.36 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydro-1,7-naphthyridine is sourced from PubChem (CID 144812705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).