2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine

C12H24N2 — CID 159572720

IUPAC2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine
SMILESCC1CC2CC(C)C(C)NC2NC1C
InChIInChI=1S/C12H24N2/c1-7-5-11-6-8(2)10(4)14-12(11)13-9(7)3/h7-14H,5-6H2,1-4H3
InChIKeyPUYRUSPCOBBIMF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds

About 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine

2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine (PubChem CID 159572720) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine
PubChem CID159572720
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine
SMILESCC1CC2CC(C)C(C)NC2NC1C
InChIInChI=1S/C12H24N2/c1-7-5-11-6-8(2)10(4)14-12(11)13-9(7)3/h7-14H,5-6H2,1-4H3
InChIKeyPUYRUSPCOBBIMF-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine with MolForge

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Related Compounds

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(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
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CID 159192336
(2R,3S,6S)-2,3,6-trimethylpiperidine
CID 89331146
(2S,7S)-4,6,7-trimethylazepane-2-carboxylic acid
CID 89010279
tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
CID 171795451
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
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CID 123629229

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine?
The IUPAC name of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine (CID 159572720) is 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine.
What is the SMILES notation for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine?
The canonical SMILES for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine is CC1CC2CC(C)C(C)NC2NC1C.
What is the InChIKey of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine?
The InChIKey is PUYRUSPCOBBIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-5-11-6-8(2)10(4)14-12(11)13-9(7)3/h7-14H,5-6H2,1-4H3.
What are the key properties of 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine?
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,8-naphthyridine is sourced from PubChem (CID 159572720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).