ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine

C13H25NO — CID 143966341

IUPACethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/C)C(=C)N(C)CCOC.CC
InChIInChI=1S/C11H19NO.C2H6/c1-6-7-10(2)11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b10-7-;
InChIKeyIMJVMGJPIDGFBF-VEZAGKLZSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds6

About ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine

ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 143966341) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
PubChem CID143966341
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Nameethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C/C=C(/C)C(=C)N(C)CCOC.CC
InChIInChI=1S/C11H19NO.C2H6/c1-6-7-10(2)11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b10-7-;
InChIKeyIMJVMGJPIDGFBF-VEZAGKLZSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine 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

ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942291
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942292
(3E)-4-(difluoromethyl)-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 143994577
(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607365
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
CID 12856185
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751
2-(3-ethenyl-6-methyl-2H-pyridin-1-yl)ethyl carbonobromidate
CID 88798939
(E,2Z)-1-N-(2-methoxyethyl)-1-N-methyl-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905152
(3E)-N-(2-methoxyethyl)-N-methylpenta-1,3-dien-3-amine
CID 117985759
N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine
CID 123221093
2-Methoxyethyl-methyl-(3-methylpenta-2,4-dien-2-yl)-propylazanium
CID 123374405

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine (CID 143966341) is ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine is C=C/C=C(/C)C(=C)N(C)CCOC.CC.
What is the InChIKey of ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is IMJVMGJPIDGFBF-VEZAGKLZSA-N. The full InChI is InChI=1S/C11H19NO.C2H6/c1-6-7-10(2)11(3)12(4)8-9-13-5;1-2/h6-7H,1,3,8-9H2,2,4-5H3;1-2H3/b10-7-;.
What are the key properties of ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine?
ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 211.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-(2-methoxyethyl)-N,3-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143966341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).