6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride

C16H30ClNO — CID 70068540

IUPAC6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride
SMILESCCCN(CCC)C1CCC2C(=O)CCCC2C1.Cl
InChIInChI=1S/C16H29NO.ClH/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18;/h13-15H,3-12H2,1-2H3;1H
InChIKeyDXMLEZFOVPWFBO-UHFFFAOYSA-N
MW287.87 g/mol
LogP4.07
Rot. Bonds5

About 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride

6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 70068540) has the molecular formula C16H30ClNO and a molecular weight of 287.87 g/mol. Its IUPAC name is 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride
PubChem CID70068540
Molecular FormulaC16H30ClNO
Molecular Weight287.87 g/mol
Exact Mass287.20
IUPAC Name6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride
SMILESCCCN(CCC)C1CCC2C(=O)CCCC2C1.Cl
InChIInChI=1S/C16H29NO.ClH/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18;/h13-15H,3-12H2,1-2H3;1H
InChIKeyDXMLEZFOVPWFBO-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride (CID 70068540) is 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride is CCCN(CCC)C1CCC2C(=O)CCCC2C1.Cl.
What is the InChIKey of 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is DXMLEZFOVPWFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO.ClH/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18;/h13-15H,3-12H2,1-2H3;1H.
What are the key properties of 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride?
6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 287.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 70068540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).