(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C11H18FNO — CID 144607365

IUPAC(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C(/F)C(=C)N(C)CCOC
InChIInChI=1S/C11H18FNO/c1-9(2)8-11(12)10(3)13(4)6-7-14-5/h8H,1,3,6-7H2,2,4-5H3/b11-8+
InChIKeyXETRWUKRFGKAIE-DHZHZOJOSA-N
MW199.27 g/mol
LogP2.51
Rot. Bonds6

About (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 144607365) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID144607365
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C(/F)C(=C)N(C)CCOC
InChIInChI=1S/C11H18FNO/c1-9(2)8-11(12)10(3)13(4)6-7-14-5/h8H,1,3,6-7H2,2,4-5H3/b11-8+
InChIKeyXETRWUKRFGKAIE-DHZHZOJOSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143942291
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
2-fluoro-N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 144598159
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-(5-Ethyl-7-fluorocyclohepta-1,4,6-trien-1-yl)morpholine
CID 167284429
4-[(3E)-4-(difluoromethyl)-5-methylhexa-1,3,5-trien-2-yl]morpholine
CID 143922304
(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
4-[(1E,3E,5Z)-1-fluoro-5-methylhepta-1,3,5-trien-4-yl]-1,4-oxazepane
CID 144441804
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 144607365) is (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C(/F)C(=C)N(C)CCOC.
What is the InChIKey of (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is XETRWUKRFGKAIE-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9(2)8-11(12)10(3)13(4)6-7-14-5/h8H,1,3,6-7H2,2,4-5H3/b11-8+.
What are the key properties of (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 199.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144607365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).