2-ethyl-5,6-dihydro-1,10-phenanthroline;propane

C17H22N2 — CID 155743377

IUPAC2-ethyl-5,6-dihydro-1,10-phenanthroline;propane
SMILESCCC.CCc1ccc2c(n1)-c1ncccc1CC2
InChIInChI=1S/C14H14N2.C3H8/c1-2-12-8-7-11-6-5-10-4-3-9-15-13(10)14(11)16-12;1-3-2/h3-4,7-9H,2,5-6H2,1H3;3H2,1-2H3
InChIKeyNXBNGDXOLUJTND-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.22
Rot. Bonds1

About 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane

2-ethyl-5,6-dihydro-1,10-phenanthroline;propane (PubChem CID 155743377) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane.

Molecular Properties

Compound Name2-ethyl-5,6-dihydro-1,10-phenanthroline;propane
PubChem CID155743377
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-ethyl-5,6-dihydro-1,10-phenanthroline;propane
SMILESCCC.CCc1ccc2c(n1)-c1ncccc1CC2
InChIInChI=1S/C14H14N2.C3H8/c1-2-12-8-7-11-6-5-10-4-3-9-15-13(10)14(11)16-12;1-3-2/h3-4,7-9H,2,5-6H2,1H3;3H2,1-2H3
InChIKeyNXBNGDXOLUJTND-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

13-(2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 11671375
N-ethyl-5,6-dihydropyrido[3,2-h]quinazolin-2-amine
CID 70893965
N,N-diethyl-4-(2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)aniline
CID 11281899
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
4-[(2-fluoro-4-pyridinyl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67569582
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline
CID 175804629
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
1,8-naphthyridine;propane
CID 142433930
2-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-5,6-dihydro-1,10-phenanthroline
CID 129266019
5,6-dihydro-1,7-phenanthroline
CID 69016308
8-propan-2-yl-5,6-dihydro-1,7-naphthyridine
CID 174911896

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane?
The IUPAC name of 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane (CID 155743377) is 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane.
What is the SMILES notation for 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane?
The canonical SMILES for 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane is CCC.CCc1ccc2c(n1)-c1ncccc1CC2.
What is the InChIKey of 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane?
The InChIKey is NXBNGDXOLUJTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C3H8/c1-2-12-8-7-11-6-5-10-4-3-9-15-13(10)14(11)16-12;1-3-2/h3-4,7-9H,2,5-6H2,1H3;3H2,1-2H3.
What are the key properties of 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane?
2-ethyl-5,6-dihydro-1,10-phenanthroline;propane has a molecular weight of 254.38 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6-dihydro-1,10-phenanthroline;propane is sourced from PubChem (CID 155743377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).