6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine

C16H23N — CID 67309540

IUPAC6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESCCCC1NC2CCCCC2=C2C=CC=CC21
InChIInChI=1S/C16H23N/c1-2-7-15-13-9-4-3-8-12(13)14-10-5-6-11-16(14)17-15/h3-4,8-9,13,15-17H,2,5-7,10-11H2,1H3
InChIKeyRJTSZBXKGIHMBD-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.74
Rot. Bonds2

About 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine

6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine (PubChem CID 67309540) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine.

Molecular Properties

Compound Name6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
PubChem CID67309540
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine
SMILESCCCC1NC2CCCCC2=C2C=CC=CC21
InChIInChI=1S/C16H23N/c1-2-7-15-13-9-4-3-8-12(13)14-10-5-6-11-16(14)17-15/h3-4,8-9,13,15-17H,2,5-7,10-11H2,1H3
InChIKeyRJTSZBXKGIHMBD-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octahydrobenzo(f)quinoline
CID 67192496
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
Dodecahydroacridine
CID 21477925
Octahydrophenanthridine
CID 21749135
1,2,3,4,4a,5,10,10a-Octahydroacridine
CID 23065677
Decahydroacridine
CID 53901762
Octahydrobenz[h]isoquinoline
CID 56633701
Octahydro-benz[g]isochinoline
CID 129648171
trans-Octahydrobenzo(f)quinoline
CID 129670051
N-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 102745
10-fluoro-4,6a,7,10,11,11b-hexahydro-3H-benzo[c]carbazole
CID 70809943
(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 122494798

Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The IUPAC name of 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine (CID 67309540) is 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine.
What is the SMILES notation for 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The canonical SMILES for 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine is CCCC1NC2CCCCC2=C2C=CC=CC21.
What is the InChIKey of 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
The InChIKey is RJTSZBXKGIHMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-7-15-13-9-4-3-8-12(13)14-10-5-6-11-16(14)17-15/h3-4,8-9,13,15-17H,2,5-7,10-11H2,1H3.
What are the key properties of 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine?
6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine has a molecular weight of 229.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,2,3,4,4a,5,6,6a-octahydrophenanthridine is sourced from PubChem (CID 67309540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).