(NE)-N-(1-phenyldodecylidene)hydroxylamine

C18H29NO — CID 6013511

IUPAC(NE)-N-(1-phenyldodecylidene)hydroxylamine
SMILESCCCCCCCCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-13-16-18(19-20)17-14-11-10-12-15-17/h10-12,14-15,20H,2-9,13,16H2,1H3/b19-18+
InChIKeyXEZBCLIXGWYGFX-VHEBQXMUSA-N
MW275.44 g/mol
LogP5.79
Rot. Bonds11

About (NE)-N-(1-phenyldodecylidene)hydroxylamine

(NE)-N-(1-phenyldodecylidene)hydroxylamine (PubChem CID 6013511) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (NE)-N-(1-phenyldodecylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-phenyldodecylidene)hydroxylamine
PubChem CID6013511
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(NE)-N-(1-phenyldodecylidene)hydroxylamine
SMILESCCCCCCCCCCC/C(=N\O)c1ccccc1
InChIInChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-13-16-18(19-20)17-14-11-10-12-15-17/h10-12,14-15,20H,2-9,13,16H2,1H3/b19-18+
InChIKeyXEZBCLIXGWYGFX-VHEBQXMUSA-N
XLogP5.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
N-methoxy-1-phenylhexan-1-imine
CID 141496906
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
CID 5362368
N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
CID 71832094
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
N-(1-phenylpentylideneamino)octanamide
CID 4676930

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-phenyldodecylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-phenyldodecylidene)hydroxylamine (CID 6013511) is (NE)-N-(1-phenyldodecylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-phenyldodecylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-phenyldodecylidene)hydroxylamine is CCCCCCCCCCC/C(=N\O)c1ccccc1.
What is the InChIKey of (NE)-N-(1-phenyldodecylidene)hydroxylamine?
The InChIKey is XEZBCLIXGWYGFX-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-3-4-5-6-7-8-9-13-16-18(19-20)17-14-11-10-12-15-17/h10-12,14-15,20H,2-9,13,16H2,1H3/b19-18+.
What are the key properties of (NE)-N-(1-phenyldodecylidene)hydroxylamine?
(NE)-N-(1-phenyldodecylidene)hydroxylamine has a molecular weight of 275.44 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-phenyldodecylidene)hydroxylamine is sourced from PubChem (CID 6013511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).