ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine

C14H24F3NO — CID 143942291

IUPACethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(=C\C(=C)N(C)CCOC)C(F)(F)F.CC
InChIInChI=1S/C12H18F3NO.C2H6/c1-9(2)11(12(13,14)15)8-10(3)16(4)6-7-17-5;1-2/h8H,1,3,6-7H2,2,4-5H3;1-2H3/b11-8+;
InChIKeyIBMSGEJOIGEZAO-YGCVIUNWSA-N
MW279.35 g/mol
LogP4.17
Rot. Bonds6

About ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine

ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine (PubChem CID 143942291) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
PubChem CID143942291
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Nameethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C(C)/C(=C\C(=C)N(C)CCOC)C(F)(F)F.CC
InChIInChI=1S/C12H18F3NO.C2H6/c1-9(2)11(12(13,14)15)8-10(3)16(4)6-7-17-5;1-2/h8H,1,3,6-7H2,2,4-5H3;1-2H3/b11-8+;
InChIKeyIBMSGEJOIGEZAO-YGCVIUNWSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.17
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

6-(cyclopropylidenemethyl)-1-methyl-3-(3,3,3-trifluoropropoxy)-2H-pyridine
CID 138703019
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
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
1-(2-methoxyethyl)-5-(trifluoromethyl)-2H-pyridine
CID 174885718
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
(3E)-3-fluoro-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607365
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
(3E)-3-(difluoromethyl)-5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
CID 162545247
1,1-bis(2-methoxyethyl)-4,6-dimethyl-2H-pyridin-1-ium
CID 21651751

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine (CID 143942291) is ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine is C=C(C)/C(=C\C(=C)N(C)CCOC)C(F)(F)F.CC.
What is the InChIKey of ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is IBMSGEJOIGEZAO-YGCVIUNWSA-N. The full InChI is InChI=1S/C12H18F3NO.C2H6/c1-9(2)11(12(13,14)15)8-10(3)16(4)6-7-17-5;1-2/h8H,1,3,6-7H2,2,4-5H3;1-2H3/b11-8+;.
What are the key properties of ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 279.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-N-(2-methoxyethyl)-N,5-dimethyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 143942291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).