N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine

C11H19NO — CID 145069302

IUPACN-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine
SMILESC=C(C)/C=C\C(=C(C)C)N(O)CC
InChIInChI=1S/C11H19NO/c1-6-12(13)11(10(4)5)8-7-9(2)3/h7-8,13H,2,6H2,1,3-5H3/b8-7-
InChIKeyNZDOBWWOQMBAKH-FPLPWBNLSA-N
MW181.28 g/mol
LogP3.12
Rot. Bonds4

About N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine

N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine (PubChem CID 145069302) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine
PubChem CID145069302
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine
SMILESC=C(C)/C=C\C(=C(C)C)N(O)CC
InChIInChI=1S/C11H19NO/c1-6-12(13)11(10(4)5)8-7-9(2)3/h7-8,13H,2,6H2,1,3-5H3/b8-7-
InChIKeyNZDOBWWOQMBAKH-FPLPWBNLSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
CID 142561883
1-ethyl-2-methyl-1-[(1E)-3-methylbuta-1,3-dienyl]hydrazine
CID 166992049
(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine
CID 170226384
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132
(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine?
The IUPAC name of N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine (CID 145069302) is N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine.
What is the SMILES notation for N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine?
The canonical SMILES for N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine is C=C(C)/C=C\C(=C(C)C)N(O)CC.
What is the InChIKey of N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine?
The InChIKey is NZDOBWWOQMBAKH-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-12(13)11(10(4)5)8-7-9(2)3/h7-8,13H,2,6H2,1,3-5H3/b8-7-.
What are the key properties of N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine?
N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine has a molecular weight of 181.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-N-ethylhydroxylamine is sourced from PubChem (CID 145069302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).