(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine

C17H22N2O2 — CID 114525509

IUPAC(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccccc2c1OCCCN(C)C
InChIInChI=1S/C17H22N2O2/c1-13(18-20)15-10-9-14-7-4-5-8-16(14)17(15)21-12-6-11-19(2)3/h4-5,7-10,20H,6,11-12H2,1-3H3/b18-13+
InChIKeyPYVIYEQCUPKFSG-QGOAFFKASA-N
MW286.38 g/mol
LogP3.37
Rot. Bonds6

About (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine

(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine (PubChem CID 114525509) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
PubChem CID114525509
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc2ccccc2c1OCCCN(C)C
InChIInChI=1S/C17H22N2O2/c1-13(18-20)15-10-9-14-7-4-5-8-16(14)17(15)21-12-6-11-19(2)3/h4-5,7-10,20H,6,11-12H2,1-3H3/b18-13+
InChIKeyPYVIYEQCUPKFSG-QGOAFFKASA-N
XLogP3.37
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

[3-(Naphthalen-1-yloxy)-propyl]-dipropyl-amine
CID 14519859
(NE)-N-[2-[3-(dimethylamino)propoxy]fluoren-9-ylidene]hydroxylamine
CID 44322799
(NE)-N-(2-phenylbenzo[h]chromen-4-ylidene)hydroxylamine
CID 155510681
{[2-(Benzyloxy)-1-naphthyl]methylene}(methyl)ammoniumolate
CID 1476242
2-(Allyloxy)-1-naphthaldehyde oxime
CID 9581792
1-(6-Methoxynaphthalen-2-yl)ethanone oxime
CID 2747573
(NE)-N-[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ylidene]hydroxylamine
CID 5492001
(NE)-N-(2-naphthalen-2-ylchromen-4-ylidene)hydroxylamine
CID 89115809
(NE)-N-(2,3-dihydrobenzo[f]chromen-1-ylidene)hydroxylamine
CID 9583610
6-Methyl-3,4-dihydro-2H-naphth(1,2-b)-1,5-oxazocin-3-ol
CID 34035
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-methylphenyl)-, O-(2-(diethylamino)ethyl)oxime
CID 6509995
(NE)-N-[4-(6-methoxynaphthalen-2-yl)butan-2-ylidene]hydroxylamine
CID 11687380

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine (CID 114525509) is (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine is C/C(=N\O)c1ccc2ccccc2c1OCCCN(C)C.
What is the InChIKey of (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine?
The InChIKey is PYVIYEQCUPKFSG-QGOAFFKASA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(18-20)15-10-9-14-7-4-5-8-16(14)17(15)21-12-6-11-19(2)3/h4-5,7-10,20H,6,11-12H2,1-3H3/b18-13+.
What are the key properties of (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine?
(NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine has a molecular weight of 286.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[1-[3-(dimethylamino)propoxy]naphthalen-2-yl]ethylidene]hydroxylamine is sourced from PubChem (CID 114525509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).