N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

C16H28N2O — CID 86206502

IUPACN-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCN(CCC)C1CCC2=C(CCCC2=NO)C1
InChIInChI=1S/C16H28N2O/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17-19/h14,19H,3-12H2,1-2H3
InChIKeyOKGHBHDLSXHOSY-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.97
Rot. Bonds5

About N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 86206502) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID86206502
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCN(CCC)C1CCC2=C(CCCC2=NO)C1
InChIInChI=1S/C16H28N2O/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17-19/h14,19H,3-12H2,1-2H3
InChIKeyOKGHBHDLSXHOSY-UHFFFAOYSA-N
XLogP3.97
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 86206502) is N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is CCCN(CCC)C1CCC2=C(CCCC2=NO)C1.
What is the InChIKey of N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is OKGHBHDLSXHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-10-18(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)17-19/h14,19H,3-12H2,1-2H3.
What are the key properties of N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 264.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 86206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).