1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine

C12H20F3N3 — CID 150984786

IUPAC1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine
SMILESCNC1(CCN(C)C)C=C(C(F)(F)F)C=C(N)C1
InChIInChI=1S/C12H20F3N3/c1-17-11(4-5-18(2)3)7-9(12(13,14)15)6-10(16)8-11/h6-7,17H,4-5,8,16H2,1-3H3
InChIKeyLQVUBCUQXJCISC-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine

1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine (PubChem CID 150984786) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine
PubChem CID150984786
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine
SMILESCNC1(CCN(C)C)C=C(C(F)(F)F)C=C(N)C1
InChIInChI=1S/C12H20F3N3/c1-17-11(4-5-18(2)3)7-9(12(13,14)15)6-10(16)8-11/h6-7,17H,4-5,8,16H2,1-3H3
InChIKeyLQVUBCUQXJCISC-UHFFFAOYSA-N
XLogP1.63
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-N-(3,3-difluorobutan-2-yl)-1,8a-dihydronaphthalene-1,8-diamine
CID 89637017
4-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-2,5-dimethyl-N-(2,2,2-trifluoroethyl)hex-4-en-2-amine
CID 129083846
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
2-Methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135451
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
4-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 143818286
(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
4-[2-(dimethylamino)ethyl]-4-N-methyl-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 154309627
2,6-difluoro-1-methyl-5-(2-methylpiperidin-2-yl)-2H-pyridin-4-amine
CID 163635316
N-[(Z)-but-2-en-2-yl]-6-ethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 167216752
5-[(1R)-1-(methylamino)ethyl]-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 169657427
(3Z)-2-N-methyl-5-N-[3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-1,3,5-triene-2,5-diamine
CID 170212781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine (CID 150984786) is 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine is CNC1(CCN(C)C)C=C(C(F)(F)F)C=C(N)C1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine?
The InChIKey is LQVUBCUQXJCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-17-11(4-5-18(2)3)7-9(12(13,14)15)6-10(16)8-11/h6-7,17H,4-5,8,16H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine?
1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine has a molecular weight of 263.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-N-methyl-5-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 150984786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).