(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

C13H26N2 — CID 118759759

IUPAC(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCC(C)CCN1CC[C@H]2NCCC[C@@H]2C1
InChIInChI=1S/C13H26N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h11-14H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQOFSURIPVBSVAS-CHWSQXEVSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds3

About (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (PubChem CID 118759759) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.

Molecular Properties

Compound Name(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
PubChem CID118759759
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCC(C)CCN1CC[C@H]2NCCC[C@@H]2C1
InChIInChI=1S/C13H26N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h11-14H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyQOFSURIPVBSVAS-CHWSQXEVSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine with MolForge

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Related Compounds

1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
6-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104563880
3-cyclopropyl-1-(3-methylbutyl)piperazine
CID 64834609
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
N,N-di(propan-2-yl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259221
1-pentyl-4-pyrrolidin-2-ylpiperidine
CID 63255578
1-(3-methylbutan-2-yl)-3-pyrrolidin-2-ylpiperidine
CID 60978804
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
CID 60978303

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The IUPAC name of (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (CID 118759759) is (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.
What is the SMILES notation for (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The canonical SMILES for (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is CC(C)CCN1CC[C@H]2NCCC[C@@H]2C1.
What is the InChIKey of (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The InChIKey is QOFSURIPVBSVAS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h11-14H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is sourced from PubChem (CID 118759759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).