(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine

C13H25NO — CID 142560297

IUPAC(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N/O)C(C)CCCC
InChIInChI=1S/C13H25NO/c1-7-8-9-11(4)12(14-15)13(5,6)10(2)3/h11,15H,2,7-9H2,1,3-6H3/b14-12+
InChIKeyRTLDVICFQLHCFN-WYMLVPIESA-N
MW211.35 g/mol
LogP4.25
Rot. Bonds6

About (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine

(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine (PubChem CID 142560297) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine
PubChem CID142560297
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine
SMILESC=C(C)C(C)(C)/C(=N/O)C(C)CCCC
InChIInChI=1S/C13H25NO/c1-7-8-9-11(4)12(14-15)13(5,6)10(2)3/h11,15H,2,7-9H2,1,3-6H3/b14-12+
InChIKeyRTLDVICFQLHCFN-WYMLVPIESA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
CID 155125097
N,2,4-trimethyloct-1-en-3-imine
CID 123513691
(3R)-3-methyl-2-[(2-methylpropan-2-yl)oxy]hept-1-ene
CID 118569638
(4R)-4-methyl-3-methylideneoctane
CID 10820618
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
ethene;2,2,4-trimethyloctan-3-one
CID 162023724
2-methyl-N-propan-2-ylhept-1-en-3-amine
CID 79411658
2,2-dimethylpropane;methanol;(2S)-2-methylheptanoic acid;propan-2-one
CID 178171776
3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane
CID 123271163
N,2-dimethyloct-1-en-3-amine;ethane
CID 143152284
ethyl 2-methylhexanoate
CID 12714009
ethane;2-methylnonane;2,3,3,4-tetramethylpent-1-ene
CID 178052039

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine (CID 142560297) is (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine is C=C(C)C(C)(C)/C(=N/O)C(C)CCCC.
What is the InChIKey of (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine?
The InChIKey is RTLDVICFQLHCFN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-9-11(4)12(14-15)13(5,6)10(2)3/h11,15H,2,7-9H2,1,3-6H3/b14-12+.
What are the key properties of (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine?
(NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine has a molecular weight of 211.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,3,3,5-tetramethylnon-1-en-4-ylidene)hydroxylamine is sourced from PubChem (CID 142560297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).