3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium

C10H19LrN2- — CID 153330751

IUPAC3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium
SMILESC[C-]1CNC2CN(C)CCC2C1.[Lr]
InChIInChI=1S/C10H19N2.Lr/c1-8-5-9-3-4-12(2)7-10(9)11-6-8;/h9-11H,3-7H2,1-2H3;/q-1;
InChIKeyTXWNMMBSDBSUCM-UHFFFAOYSA-N
MW429.28 g/mol
LogP0.89
Rot. Bonds

About 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium

3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium (PubChem CID 153330751) has the molecular formula C10H19LrN2- and a molecular weight of 429.28 g/mol. Its IUPAC name is 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium.

Molecular Properties

Compound Name3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium
PubChem CID153330751
Molecular FormulaC10H19LrN2-
Molecular Weight429.28 g/mol
Exact Mass429.27
IUPAC Name3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium
SMILESC[C-]1CNC2CN(C)CCC2C1.[Lr]
InChIInChI=1S/C10H19N2.Lr/c1-8-5-9-3-4-12(2)7-10(9)11-6-8;/h9-11H,3-7H2,1-2H3;/q-1;
InChIKeyTXWNMMBSDBSUCM-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium?
The IUPAC name of 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium (CID 153330751) is 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium.
What is the SMILES notation for 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium?
The canonical SMILES for 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium is C[C-]1CNC2CN(C)CCC2C1.[Lr].
What is the InChIKey of 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium?
The InChIKey is TXWNMMBSDBSUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2.Lr/c1-8-5-9-3-4-12(2)7-10(9)11-6-8;/h9-11H,3-7H2,1-2H3;/q-1;.
What are the key properties of 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium?
3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium has a molecular weight of 429.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,2,4,4a,5,6,8,8a-octahydro-1,7-naphthyridin-3-ide;lawrencium is sourced from PubChem (CID 153330751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).