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

C14H23NO — CID 10900184

IUPAC6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(C)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C14H23NO/c1-3-9-15(2)12-7-8-13-11(10-12)5-4-6-14(13)16/h12H,3-10H2,1-2H3
InChIKeyPPLKMZZVXLGMGV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds3

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

6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 10900184) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID10900184
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCCCN(C)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C14H23NO/c1-3-9-15(2)12-7-8-13-11(10-12)5-4-6-14(13)16/h12H,3-10H2,1-2H3
InChIKeyPPLKMZZVXLGMGV-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 10900184) is 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CCCN(C)C1CCC2=C(CCCC2=O)C1.
What is the InChIKey of 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is PPLKMZZVXLGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-9-15(2)12-7-8-13-11(10-12)5-4-6-14(13)16/h12H,3-10H2,1-2H3.
What are the key properties of 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propyl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 10900184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).