ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

C14H25F3N2 — CID 144589100

IUPACethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\C(=C)C(F)(F)F)N(C)CCN(C)C.CC
InChIInChI=1S/C12H19F3N2.C2H6/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3/b7-6-;
InChIKeyRMHUWDQPOYCMRC-NAFXZHHSSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds6

About ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (PubChem CID 144589100) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
PubChem CID144589100
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Nameethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\C(=C)C(F)(F)F)N(C)CCN(C)C.CC
InChIInChI=1S/C12H19F3N2.C2H6/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3/b7-6-;
InChIKeyRMHUWDQPOYCMRC-NAFXZHHSSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
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

2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
1-[(3Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhexa-1,3-dien-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340833
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
N',N'-diethyl-N-methyl-N-[(3Z,5Z)-5-methyl-7-(trifluoromethyl)octa-3,5,7-trienyl]ethane-1,2-diamine
CID 138564568

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (CID 144589100) is ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is C=C(/C=C\C(=C)C(F)(F)F)N(C)CCN(C)C.CC.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The InChIKey is RMHUWDQPOYCMRC-NAFXZHHSSA-N. The full InChI is InChI=1S/C12H19F3N2.C2H6/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4;1-2/h6-7H,1-2,8-9H2,3-5H3;1-2H3/b7-6-;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 144589100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).