(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine

C13H25NO — CID 138580655

IUPAC(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine
SMILESC=CCC(C)(C)/C(=N\O)C(C)(C)C(C)C
InChIInChI=1S/C13H25NO/c1-8-9-12(4,5)11(14-15)13(6,7)10(2)3/h8,10,15H,1,9H2,2-7H3/b14-11+
InChIKeyCIXSEMYDBOHANC-SDNWHVSQSA-N
MW211.35 g/mol
LogP4.10
Rot. Bonds5

About (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine

(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine (PubChem CID 138580655) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine
PubChem CID138580655
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine
SMILESC=CCC(C)(C)/C(=N\O)C(C)(C)C(C)C
InChIInChI=1S/C13H25NO/c1-8-9-12(4,5)11(14-15)13(6,7)10(2)3/h8,10,15H,1,9H2,2-7H3/b14-11+
InChIKeyCIXSEMYDBOHANC-SDNWHVSQSA-N
XLogP4.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 54.10
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-(2,5,5,7,7,8-hexamethylnon-2-en-6-ylidene)hydroxylamine
CID 155125098
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
3-amino-2-methylhex-5-en-3-ol
CID 87728442
2,3,3-trimethyloct-7-en-4-imine
CID 138580985
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
4-chloro-4-methylpent-1-ene
CID 14174361
N,3,3-trimethylhexa-1,5-dien-2-amine
CID 129082840
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
N-(2-ethenyl-3,3,5,5,6-pentamethyl-2-silyloct-7-en-4-ylidene)hydroxylamine
CID 173135674
4,4-diethyl-5-methylhex-1-ene
CID 23384984
3,3-dimethylhex-5-en-2-amine
CID 130019272

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine (CID 138580655) is (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine is C=CCC(C)(C)/C(=N\O)C(C)(C)C(C)C.
What is the InChIKey of (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine?
The InChIKey is CIXSEMYDBOHANC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25NO/c1-8-9-12(4,5)11(14-15)13(6,7)10(2)3/h8,10,15H,1,9H2,2-7H3/b14-11+.
What are the key properties of (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine?
(NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine has a molecular weight of 211.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,3,3,5,5-pentamethyloct-7-en-4-ylidene)hydroxylamine is sourced from PubChem (CID 138580655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).