ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide

C15H25NO — CID 142874614

IUPACethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide
SMILESCC.O=CNCCC1CCCC2=C1CCC=C2
InChIInChI=1S/C13H19NO.C2H6/c15-10-14-9-8-12-6-3-5-11-4-1-2-7-13(11)12;1-2/h1,4,10,12H,2-3,5-9H2,(H,14,15);1-2H3
InChIKeyZRLOZTITOBRKNJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.60
Rot. Bonds4

About ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide

ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide (PubChem CID 142874614) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide.

Molecular Properties

Compound Nameethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide
PubChem CID142874614
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide
SMILESCC.O=CNCCC1CCCC2=C1CCC=C2
InChIInChI=1S/C13H19NO.C2H6/c15-10-14-9-8-12-6-3-5-11-4-1-2-7-13(11)12;1-2/h1,4,10,12H,2-3,5-9H2,(H,14,15);1-2H3
InChIKeyZRLOZTITOBRKNJ-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide?
The IUPAC name of ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide (CID 142874614) is ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide.
What is the SMILES notation for ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide?
The canonical SMILES for ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide is CC.O=CNCCC1CCCC2=C1CCC=C2.
What is the InChIKey of ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide?
The InChIKey is ZRLOZTITOBRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c15-10-14-9-8-12-6-3-5-11-4-1-2-7-13(11)12;1-2/h1,4,10,12H,2-3,5-9H2,(H,14,15);1-2H3.
What are the key properties of ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide?
ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide has a molecular weight of 235.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1,2,3,4,7,8-hexahydronaphthalen-1-yl)ethyl]formamide is sourced from PubChem (CID 142874614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).