(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine

C8H16N2 — CID 11289787

IUPAC(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine
SMILESC1CN[C@H]2CCCN[C@H]2C1
InChIInChI=1S/C8H16N2/c1-3-7-8(9-5-1)4-2-6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyRQPDLNSKAAOHTF-YUMQZZPRSA-N
MW140.23 g/mol
LogP0.49
Rot. Bonds

About (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine

(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine (PubChem CID 11289787) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine.

Molecular Properties

Compound Name(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine
PubChem CID11289787
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine
SMILESC1CN[C@H]2CCCN[C@H]2C1
InChIInChI=1S/C8H16N2/c1-3-7-8(9-5-1)4-2-6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKeyRQPDLNSKAAOHTF-YUMQZZPRSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

1-(2-Piperidinylmethyl)piperidine
CID 254290
(+-)-1,4-Diazabicyclo[4.4.0]decane
CID 2876391
2,2'-Bipiperidyl
CID 415618
3-methyl-octahydro-1H-pyrido(1,2-a)piperazine
CID 45099409
rel-(4aR,8aR)-Decahydro-1,5-naphthyridine
CID 11083982
octahydro-1H-quinolizin-1-amine
CID 13549975
rac-(4aR,8aR)-decahydroquinoxaline
CID 28409949
(9aS)-Octahydro-2H-pyrido[1,2-a]pyrazine
CID 773776
octahydro-1H-pyrido(1,2-a)piperazine dihydrochloride
CID 42952164
(S)-Octahydro-1H-pyrido[1,2-a]pyrazine dihydrochloride
CID 71742135
1,5-Diazadecalin
CID 5231403
trans-Decahydro-quinoxaline
CID 15650611

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine?
The IUPAC name of (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine (CID 11289787) is (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine.
What is the SMILES notation for (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine?
The canonical SMILES for (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine is C1CN[C@H]2CCCN[C@H]2C1.
What is the InChIKey of (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine?
The InChIKey is RQPDLNSKAAOHTF-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-8(9-5-1)4-2-6-10-7/h7-10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine?
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine has a molecular weight of 140.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydro-1,5-naphthyridine is sourced from PubChem (CID 11289787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).