N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

C16H23N — CID 23274479

IUPACN-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCCNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C16H23N/c1-2-17-16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14,17H,2,5-6,8,10-12H2,1H3
InChIKeyDGBRGNBZYYODJF-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.63
Rot. Bonds2

About N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine

N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (PubChem CID 23274479) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound NameN-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
PubChem CID23274479
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
SMILESCCNC12CCCCC1CCc1ccccc12
InChIInChI=1S/C16H23N/c1-2-17-16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14,17H,2,5-6,8,10-12H2,1H3
InChIKeyDGBRGNBZYYODJF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The IUPAC name of N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine (CID 23274479) is N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The canonical SMILES for N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is CCNC12CCCCC1CCc1ccccc12.
What is the InChIKey of N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
The InChIKey is DGBRGNBZYYODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-17-16-12-6-5-8-14(16)11-10-13-7-3-4-9-15(13)16/h3-4,7,9,14,17H,2,5-6,8,10-12H2,1H3.
What are the key properties of N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine?
N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine has a molecular weight of 229.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 23274479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).