N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine

C18H28N2O — CID 74044271

IUPACN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
SMILESCCCN(CCC)C1CCc2cccc(C(C)=NO)c2C1
InChIInChI=1S/C18H28N2O/c1-4-11-20(12-5-2)16-10-9-15-7-6-8-17(14(3)19-21)18(15)13-16/h6-8,16,21H,4-5,9-13H2,1-3H3
InChIKeyCZDXNRNTDRQHLJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.86
Rot. Bonds6

About N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine

N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine (PubChem CID 74044271) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
PubChem CID74044271
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine
SMILESCCCN(CCC)C1CCc2cccc(C(C)=NO)c2C1
InChIInChI=1S/C18H28N2O/c1-4-11-20(12-5-2)16-10-9-15-7-6-8-17(14(3)19-21)18(15)13-16/h6-8,16,21H,4-5,9-13H2,1-3H3
InChIKeyCZDXNRNTDRQHLJ-UHFFFAOYSA-N
XLogP3.86
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.86
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'}

Analyze N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine?
The IUPAC name of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine (CID 74044271) is N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine?
The canonical SMILES for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine is CCCN(CCC)C1CCc2cccc(C(C)=NO)c2C1.
What is the InChIKey of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine?
The InChIKey is CZDXNRNTDRQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-11-20(12-5-2)16-10-9-15-7-6-8-17(14(3)19-21)18(15)13-16/h6-8,16,21H,4-5,9-13H2,1-3H3.
What are the key properties of N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine?
N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine has a molecular weight of 288.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 74044271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).