6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one

C16H27NO — CID 11736797

IUPAC6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC(C)N(C(C)C)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H27NO/c1-11(2)17(12(3)4)14-8-9-15-13(10-14)6-5-7-16(15)18/h11-12,14H,5-10H2,1-4H3
InChIKeyLASXJRMBKFZURJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds3

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

6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 11736797) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID11736797
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC(C)N(C(C)C)C1CCC2=C(CCCC2=O)C1
InChIInChI=1S/C16H27NO/c1-11(2)17(12(3)4)14-8-9-15-13(10-14)6-5-7-16(15)18/h11-12,14H,5-10H2,1-4H3
InChIKeyLASXJRMBKFZURJ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 11736797) is 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CC(C)N(C(C)C)C1CCC2=C(CCCC2=O)C1.
What is the InChIKey of 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is LASXJRMBKFZURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11(2)17(12(3)4)14-8-9-15-13(10-14)6-5-7-16(15)18/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(propan-2-yl)amino]-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 11736797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).