1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline

C12H18N2 — CID 90794457

IUPAC1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline
SMILESC1=CC2C(CCC3NCCCC32)N=C1
InChIInChI=1S/C12H18N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1,3,7,9-12,14H,2,4-6,8H2
InChIKeyGZTKXBTUELPRAV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.77
Rot. Bonds

About 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline

1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline (PubChem CID 90794457) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline
PubChem CID90794457
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline
SMILESC1=CC2C(CCC3NCCCC32)N=C1
InChIInChI=1S/C12H18N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1,3,7,9-12,14H,2,4-6,8H2
InChIKeyGZTKXBTUELPRAV-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,4a,5,6,6a,10a-Octahydro-4,7-phenanthroline
CID 54108859
3,8-Dimethyl-1,2,3,4,4a,6a,7,8,10a,10b-decahydrobenzo[f][1,7]naphthyridine
CID 141830728
1,2,3,4,4a,5,6,6a,10a,10b-Decahydro-1,10-phenanthroline
CID 22958180

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline?
The IUPAC name of 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline (CID 90794457) is 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline.
What is the SMILES notation for 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline?
The canonical SMILES for 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline is C1=CC2C(CCC3NCCCC32)N=C1.
What is the InChIKey of 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline?
The InChIKey is GZTKXBTUELPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1,3,7,9-12,14H,2,4-6,8H2.
What are the key properties of 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline?
1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline has a molecular weight of 190.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,6a,10a,10b-decahydro-4,7-phenanthroline is sourced from PubChem (CID 90794457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).