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

C13H22N2O — CID 21258596

IUPAC(NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C13H22N2O/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15-16/h11,14,16H,2-9H2,1H3/b15-13+
InChIKeyYZXNRIRTQKTLSJ-FYWRMAATSA-N
MW222.33 g/mol
LogP2.85
Rot. Bonds3

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

(NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 21258596) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID21258596
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C13H22N2O/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15-16/h11,14,16H,2-9H2,1H3/b15-13+
InChIKeyYZXNRIRTQKTLSJ-FYWRMAATSA-N
XLogP2.85
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
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 (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]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 (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 21258596) is (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is CCCNC1CCC2=C(CCC/C2=N\O)C1.
What is the InChIKey of (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is YZXNRIRTQKTLSJ-FYWRMAATSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15-16/h11,14,16H,2-9H2,1H3/b15-13+.
What are the key properties of (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 222.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6-(propylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 21258596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).