ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine

C12H18F3N — CID 145221446

IUPACethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
SMILESC=C1CCC(C(F)(F)F)=CC=C1NC.CC
InChIInChI=1S/C10H12F3N.C2H6/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2;1-2/h5-6,14H,1,3-4H2,2H3;1-2H3
InChIKeyAQEJWFGWMHMMAE-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.95
Rot. Bonds1

About ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine

ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine (PubChem CID 145221446) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
PubChem CID145221446
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nameethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
SMILESC=C1CCC(C(F)(F)F)=CC=C1NC.CC
InChIInChI=1S/C10H12F3N.C2H6/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2;1-2/h5-6,14H,1,3-4H2,2H3;1-2H3
InChIKeyAQEJWFGWMHMMAE-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3Z)-N-ethyl-2-[[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methyl]penta-1,3-dien-3-amine
CID 135269232
(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
CID 135269286
(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527422
(4E,6E)-N,3,8-trimethyl-6-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527441
ethane;1-[5-fluoro-3-(trifluoromethyl)cyclohepta-1,3-dien-1-yl]-N-methylmethanamine
CID 143615685
ethane;N-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144864983
6-Ethyl-5-fluoro-3-prop-2-enyl-1,7-dihydrocyclohepta[b]pyrrole
CID 145640922
(4E,6E)-N,3-dimethyl-8-methylidene-7-(trifluoromethyl)deca-4,6-dien-4-amine
CID 146245224
(2E,4Z,6Z)-4-ethyl-8-fluoro-N,6-dimethylocta-2,4,6-trien-3-amine
CID 156423146

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The IUPAC name of ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine (CID 145221446) is ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine.
What is the SMILES notation for ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The canonical SMILES for ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine is C=C1CCC(C(F)(F)F)=CC=C1NC.CC.
What is the InChIKey of ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
The InChIKey is AQEJWFGWMHMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.C2H6/c1-7-3-4-8(10(11,12)13)5-6-9(7)14-2;1-2/h5-6,14H,1,3-4H2,2H3;1-2H3.
What are the key properties of ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine?
ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine has a molecular weight of 233.28 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 145221446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).