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

C12H18N2 — CID 67337007

IUPAC1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline
SMILESC1=CC2=C3CCCNC3CCC2NC1
InChIInChI=1S/C12H18N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1,3,11-14H,2,4-8H2
InChIKeyBFAVPYUZKYQEDH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.36
Rot. Bonds

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

1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline (PubChem CID 67337007) 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,7,8-decahydro-4,7-phenanthroline.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline
PubChem CID67337007
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline
SMILESC1=CC2=C3CCCNC3CCC2NC1
InChIInChI=1S/C12H18N2/c1-3-9-10-4-2-8-14-12(10)6-5-11(9)13-7-1/h1,3,11-14H,2,4-8H2
InChIKeyBFAVPYUZKYQEDH-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline?
The IUPAC name of 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline (CID 67337007) is 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline.
What is the SMILES notation for 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline?
The canonical SMILES for 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline is C1=CC2=C3CCCNC3CCC2NC1.
What is the InChIKey of 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline?
The InChIKey is BFAVPYUZKYQEDH-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/h1,3,11-14H,2,4-8H2.
What are the key properties of 1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline?
1,2,3,4,4a,5,6,6a,7,8-decahydro-4,7-phenanthroline has a molecular weight of 190.29 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 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,7,8-decahydro-4,7-phenanthroline is sourced from PubChem (CID 67337007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).