6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C15H25NO — CID 10444092

IUPAC6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CC)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C15H25NO/c1-3-10-16(4-2)13-8-9-14-12(11-13)6-5-7-15(14)17/h13H,3-11H2,1-2H3
InChIKeyTZEGNEPVLMOQPG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds4

About 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 10444092) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID10444092
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(CC)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C15H25NO/c1-3-10-16(4-2)13-8-9-14-12(11-13)6-5-7-15(14)17/h13H,3-11H2,1-2H3
InChIKeyTZEGNEPVLMOQPG-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 10444092) is 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CCCN(CC)C1CCC2=C(CCCC2=O)C1.
What is the InChIKey of 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is TZEGNEPVLMOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-10-16(4-2)13-8-9-14-12(11-13)6-5-7-15(14)17/h13H,3-11H2,1-2H3.
What are the key properties of 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 10444092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).