(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine

C30H38N6O2 — CID 139091981

IUPAC(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine
SMILESCN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12.CN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12
InChIInChI=1S/2C15H19N3O/c2*1-17(2)13-7-5-6-11-8-9-12(10-16-19)15(14(11)13)18(3)4/h2*5-10,19H,1-4H3/b2*16-10+
InChIKeyUKONQIFRYMOQGT-UDGBXGIMSA-N
MW514.67 g/mol
LogP5.56
Rot. Bonds6

About (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine

(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine (PubChem CID 139091981) has the molecular formula C30H38N6O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine
PubChem CID139091981
Molecular FormulaC30H38N6O2
Molecular Weight514.67 g/mol
Exact Mass514.31
IUPAC Name(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine
SMILESCN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12.CN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12
InChIInChI=1S/2C15H19N3O/c2*1-17(2)13-7-5-6-11-8-9-12(10-16-19)15(14(11)13)18(3)4/h2*5-10,19H,1-4H3/b2*16-10+
InChIKeyUKONQIFRYMOQGT-UDGBXGIMSA-N
XLogP5.56
TPSA78.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Related Compounds

1-N,1-N,8-N,8-N-tetramethyl-2-[(Z)-2-nitroprop-1-enyl]naphthalene-1,8-diamine
CID 177405038
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
CID 54753234
4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 14437588
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
bis[8-(dimethylamino)naphthalen-1-yl]-iodotellanium triiodide
CID 139159619
2,3-bis(dimethylamino)phenol
CID 22357103
N,N,1-trimethylbenzo[g]indol-9-amine
CID 91691308
[8-(dimethylamino)naphthalen-1-yl]tellanyllithium
CID 140734839
N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
CID 71440987
(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
CID 15261160
1-N-[[2-[[[8-(dimethylamino)naphthalen-1-yl]-methylamino]methyl]phenyl]methyl]-1-N,8-N,8-N-trimethylnaphthalene-1,8-diamine
CID 155936920
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 20650331

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine (CID 139091981) is (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine is CN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12.CN(C)c1cccc2ccc(/C=N/O)c(N(C)C)c12.
What is the InChIKey of (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine?
The InChIKey is UKONQIFRYMOQGT-UDGBXGIMSA-N. The full InChI is InChI=1S/2C15H19N3O/c2*1-17(2)13-7-5-6-11-8-9-12(10-16-19)15(14(11)13)18(3)4/h2*5-10,19H,1-4H3/b2*16-10+.
What are the key properties of (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine?
(NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine has a molecular weight of 514.67 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1,8-bis(dimethylamino)naphthalen-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 139091981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).