1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one

C19H29NO — CID 54473836

IUPAC1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
SMILESCCCN(CCC)[C@@H]1CCc2cccc(C(=O)CC)c2C1
InChIInChI=1S/C19H29NO/c1-4-12-20(13-5-2)16-11-10-15-8-7-9-17(18(15)14-16)19(21)6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1
InChIKeyXKDZSRFNYNRPPB-MRXNPFEDSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds7

About 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one

1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one (PubChem CID 54473836) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
PubChem CID54473836
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
SMILESCCCN(CCC)[C@@H]1CCc2cccc(C(=O)CC)c2C1
InChIInChI=1S/C19H29NO/c1-4-12-20(13-5-2)16-11-10-15-8-7-9-17(18(15)14-16)19(21)6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1
InChIKeyXKDZSRFNYNRPPB-MRXNPFEDSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one?
The IUPAC name of 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one (CID 54473836) is 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one.
What is the SMILES notation for 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one?
The canonical SMILES for 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one is CCCN(CCC)[C@@H]1CCc2cccc(C(=O)CC)c2C1.
What is the InChIKey of 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one?
The InChIKey is XKDZSRFNYNRPPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-12-20(13-5-2)16-11-10-15-8-7-9-17(18(15)14-16)19(21)6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one?
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one is sourced from PubChem (CID 54473836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).