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

C12H19F3N2 — CID 144589101

IUPACN,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
InChIInChI=1S/C12H19F3N2/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-
InChIKeySIYCIPNAVOQGSW-SREVYHEPSA-N
MW248.29 g/mol
LogP2.67
Rot. Bonds6

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

N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (PubChem CID 144589101) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
PubChem CID144589101
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC NameN,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
InChIInChI=1S/C12H19F3N2/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-
InChIKeySIYCIPNAVOQGSW-SREVYHEPSA-N
XLogP2.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.67
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 N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine (CID 144589101) is 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 N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The canonical SMILES for 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.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
The InChIKey is SIYCIPNAVOQGSW-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-10(12(13,14)15)6-7-11(2)17(5)9-8-16(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-.
What are the key properties of N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine has a molecular weight of 248.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 144589101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).